[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [[4-[[1,3-bis[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methyl phosphate;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate

C284H402N76O154P20S13-20 — CID 159216963

IUPAC[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [[4-[[1,3-bis[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methyl phosphate;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate
SMILESCC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)CC1OP([O-])(=S)OC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)CC1OP(=O)([S-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1OP([O-])(=S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)CC1OP([O-])(=S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1OP([O-])(=S)OC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)[C@@H](OCCOC)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)[C@@H](OCCOC)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](OCCOC)C1OP([O-])(=S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@@H](OCCOC)C1OP([O-])(=S)OC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)[C@@H](OCCOC)C1O.COCCO[C@H]1C(OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cc(C)c(N)nc3=O)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cc(C)c(N)nc3=O)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cc(C)c(N)nc3=O)CC2OP([O-])(=S)OC)[C@@H](COP(=O)([O-])OC2[C@@H](COP(=O)([O-])OC3[C@@H](COP(=O)([O-])OC4[C@@H](COP([O-])(=S)OC5[C@@H](COP(=O)([O-])OCNC(=O)CCC(=O)NC(COCCC(=O)NCCCO[C@@H]6OC(CO)[C@H](O)C(O)C6NC(C)=O)(COCCC(=O)NCCCO[C@@H]6OC(CO)[C@H](O)[C@H](O)C6NC(C)=O)COCCC(=O)NCCCO[C@@H]6OC(CO)[C@H](O)[C@H](O)C6NC(C)=O)O[C@@H](n6cnc7c(N)ncnc76)[C@H]5OCCOC)O[C@@H](n5cc(C)c(=O)[nH]c5=O)[C@H]4OCCOC)O[C@@H](n4cc(C)c(N)nc4=O)[C@H]3OCCOC)O[C@@H](n3cc(C)c(N)nc3=O)[C@H]2OCCOC)O[C@H]1n1cc(C)c(N)nc1=O
InChIInChI=1S/C167H256N43O93P11S6.C117H166N33O61P9S7/c1-78-49-201(160(230)191-138(78)168)111-44-88(294-309(247,315)258-16)97(281-111)60-275-310(248,316)295-89-45-112(202-50-79(2)139(169)192-161(202)231)283-99(89)62-277-313(251,319)298-92-48-115(209-75-186-121-148(209)197-159(176)198-150(121)229)285-100(92)63-278-311(249,317)296-90-46-113(203-51-80(3)140(170)193-162(203)232)282-98(90)61-276-312(250,318)297-91-47-114(208-74-184-119-144(174)180-72-182-146(119)208)284-96(91)59-271-305(239,240)299-128-101(286-151(133(128)262-39-34-253-11)204-52-81(4)141(171)194-163(204)233)65-272-306(241,242)300-129-102(287-152(134(129)263-40-35-254-12)205-53-82(5)142(172)195-164(205)234)66-273-307(243,244)301-130-103(288-153(135(130)264-41-36-255-13)206-54-83(6)143(173)196-165(206)235)67-274-308(245,246)302-131-105(289-154(136(131)265-42-37-256-14)207-55-84(7)149(228)199-166(207)236)68-279-314(252,320)303-132-104(290-155(137(132)266-43-38-257-15)210-76-185-120-145(175)181-73-183-147(120)210)64-270-304(237,238)280-77-187-106(217)20-21-110(221)200-167(69-259-31-22-107(218)177-25-17-28-267-156-116(188-85(8)214)125(225)122(222)93(56-211)291-156,70-260-32-23-108(219)178-26-18-29-268-157-117(189-86(9)215)126(226)123(223)94(57-212)292-157)71-261-33-24-109(220)179-27-19-30-269-158-118(190-87(10)216)127(227)124(224)95(58-213)293-158;1-15-59-60(26-74(193-59)141-31-51(2)92(118)132-111(141)156)203-214(167,221)186-38-65-61(27-75(194-65)142-32-52(3)93(119)133-112(142)157)204-215(168,222)187-39-66-62(28-76(195-66)143-36-56(7)101(152)139-116(143)161)205-216(169,223)189-41-68-64(30-78(197-68)148-48-128-81-100(148)137-110(124)138-104(81)155)207-217(170,224)188-40-67-63(29-77(196-67)144-37-57(8)102(153)140-117(144)162)206-218(171,225)191-45-72-84(89(181-23-18-176-12)107(200-72)147-35-55(6)96(122)136-115(147)160)209-212(163,164)184-43-70-83(88(180-22-17-175-11)106(199-70)146-34-54(5)95(121)135-114(146)159)208-213(165,166)185-44-71-85(90(182-24-19-177-13)108(201-71)149-49-127-79-97(123)125-47-126-98(79)149)210-220(173,227)192-46-73-86(91(183-25-20-178-14)109(202-73)150-50-129-80-99(150)130-58(9)131-103(80)154)211-219(172,226)190-42-69-82(151)87(179-21-16-174-10)105(198-69)145-33-53(4)94(120)134-113(145)158/h49-55,72-76,88-105,111-118,122-137,151-158,211-213,222-227H,17-48,56-71,77H2,1-16H3,(H,177,218)(H,178,219)(H,179,220)(H,187,217)(H,188,214)(H,189,215)(H,190,216)(H,200,221)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,315)(H,248,316)(H,249,317)(H,250,318)(H,251,319)(H,252,320)(H2,168,191,230)(H2,169,192,231)(H2,170,193,232)(H2,171,194,233)(H2,172,195,234)(H2,173,196,235)(H2,174,180,182)(H2,175,181,183)(H,199,228,236)(H3,176,197,198,229);31-37,47-50,59-78,82-91,105-109,151H,15-30,38-46H2,1-14H3,(H,163,164)(H,165,166)(H,167,221)(H,168,222)(H,169,223)(H,170,224)(H,171,225)(H,172,226)(H,173,227)(H2,118,132,156)(H2,119,133,157)(H2,120,134,158)(H2,121,135,159)(H2,122,136,160)(H2,123,125,126)(H,130,131,154)(H,139,152,161)(H,140,153,162)(H3,124,137,138,155)/p-20/t88?,89?,90?,91?,92?,93?,94?,95?,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,111-,112-,113-,114-,115-,116?,117?,118?,122+,123+,124+,125-,126-,127?,128?,129?,130?,131?,132?,133+,134+,135+,136+,137+,151-,152-,153-,154-,155-,156-,157-,158-,167?,309?,310?,311?,312?,313?,314?;59-,60?,61?,62?,63?,64?,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,82?,83?,84?,85?,86?,87+,88+,89+,90+,91+,105-,106-,107-,108-,109-,214?,215?,216?,217?,218?,219?,220?/m11/s1
InChIKeyKRESYTPCKJQQTL-XCHJCIPXSA-A
MW8381.07 g/mol
LogP-24.18
Rot. Bonds200

About [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [[4-[[1,3-bis[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methyl phosphate;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate

[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [[4-[[1,3-bis[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methyl phosphate;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate (PubChem CID 159216963) has the molecular formula C284H402N76O154P20S13-20 and a molecular weight of 8381.07 g/mol. Its IUPAC name is [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [[4-[[1,3-bis[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methyl phosphate;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate.

Molecular Properties

Compound Name[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [[4-[[1,3-bis[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methyl phosphate;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate
PubChem CID159216963
Molecular FormulaC284H402N76O154P20S13-20
Molecular Weight8381.07 g/mol
Exact Mass8375.72
IUPAC Name[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [[4-[[1,3-bis[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methyl phosphate;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate
SMILESCC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)CC1OP([O-])(=S)OC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)CC1OP(=O)([S-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1OP([O-])(=S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)CC1OP([O-])(=S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1OP([O-])(=S)OC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)[C@@H](OCCOC)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)[C@@H](OCCOC)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](OCCOC)C1OP([O-])(=S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@@H](OCCOC)C1OP([O-])(=S)OC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)[C@@H](OCCOC)C1O.COCCO[C@H]1C(OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cc(C)c(N)nc3=O)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cc(C)c(N)nc3=O)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cc(C)c(N)nc3=O)CC2OP([O-])(=S)OC)[C@@H](COP(=O)([O-])OC2[C@@H](COP(=O)([O-])OC3[C@@H](COP(=O)([O-])OC4[C@@H](COP([O-])(=S)OC5[C@@H](COP(=O)([O-])OCNC(=O)CCC(=O)NC(COCCC(=O)NCCCO[C@@H]6OC(CO)[C@H](O)C(O)C6NC(C)=O)(COCCC(=O)NCCCO[C@@H]6OC(CO)[C@H](O)[C@H](O)C6NC(C)=O)COCCC(=O)NCCCO[C@@H]6OC(CO)[C@H](O)[C@H](O)C6NC(C)=O)O[C@@H](n6cnc7c(N)ncnc76)[C@H]5OCCOC)O[C@@H](n5cc(C)c(=O)[nH]c5=O)[C@H]4OCCOC)O[C@@H](n4cc(C)c(N)nc4=O)[C@H]3OCCOC)O[C@@H](n3cc(C)c(N)nc3=O)[C@H]2OCCOC)O[C@H]1n1cc(C)c(N)nc1=O
InChIInChI=1S/C167H256N43O93P11S6.C117H166N33O61P9S7/c1-78-49-201(160(230)191-138(78)168)111-44-88(294-309(247,315)258-16)97(281-111)60-275-310(248,316)295-89-45-112(202-50-79(2)139(169)192-161(202)231)283-99(89)62-277-313(251,319)298-92-48-115(209-75-186-121-148(209)197-159(176)198-150(121)229)285-100(92)63-278-311(249,317)296-90-46-113(203-51-80(3)140(170)193-162(203)232)282-98(90)61-276-312(250,318)297-91-47-114(208-74-184-119-144(174)180-72-182-146(119)208)284-96(91)59-271-305(239,240)299-128-101(286-151(133(128)262-39-34-253-11)204-52-81(4)141(171)194-163(204)233)65-272-306(241,242)300-129-102(287-152(134(129)263-40-35-254-12)205-53-82(5)142(172)195-164(205)234)66-273-307(243,244)301-130-103(288-153(135(130)264-41-36-255-13)206-54-83(6)143(173)196-165(206)235)67-274-308(245,246)302-131-105(289-154(136(131)265-42-37-256-14)207-55-84(7)149(228)199-166(207)236)68-279-314(252,320)303-132-104(290-155(137(132)266-43-38-257-15)210-76-185-120-145(175)181-73-183-147(120)210)64-270-304(237,238)280-77-187-106(217)20-21-110(221)200-167(69-259-31-22-107(218)177-25-17-28-267-156-116(188-85(8)214)125(225)122(222)93(56-211)291-156,70-260-32-23-108(219)178-26-18-29-268-157-117(189-86(9)215)126(226)123(223)94(57-212)292-157)71-261-33-24-109(220)179-27-19-30-269-158-118(190-87(10)216)127(227)124(224)95(58-213)293-158;1-15-59-60(26-74(193-59)141-31-51(2)92(118)132-111(141)156)203-214(167,221)186-38-65-61(27-75(194-65)142-32-52(3)93(119)133-112(142)157)204-215(168,222)187-39-66-62(28-76(195-66)143-36-56(7)101(152)139-116(143)161)205-216(169,223)189-41-68-64(30-78(197-68)148-48-128-81-100(148)137-110(124)138-104(81)155)207-217(170,224)188-40-67-63(29-77(196-67)144-37-57(8)102(153)140-117(144)162)206-218(171,225)191-45-72-84(89(181-23-18-176-12)107(200-72)147-35-55(6)96(122)136-115(147)160)209-212(163,164)184-43-70-83(88(180-22-17-175-11)106(199-70)146-34-54(5)95(121)135-114(146)159)208-213(165,166)185-44-71-85(90(182-24-19-177-13)108(201-71)149-49-127-79-97(123)125-47-126-98(79)149)210-220(173,227)192-46-73-86(91(183-25-20-178-14)109(202-73)150-50-129-80-99(150)130-58(9)131-103(80)154)211-219(172,226)190-42-69-82(151)87(179-21-16-174-10)105(198-69)145-33-53(4)94(120)134-113(145)158/h49-55,72-76,88-105,111-118,122-137,151-158,211-213,222-227H,17-48,56-71,77H2,1-16H3,(H,177,218)(H,178,219)(H,179,220)(H,187,217)(H,188,214)(H,189,215)(H,190,216)(H,200,221)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,315)(H,248,316)(H,249,317)(H,250,318)(H,251,319)(H,252,320)(H2,168,191,230)(H2,169,192,231)(H2,170,193,232)(H2,171,194,233)(H2,172,195,234)(H2,173,196,235)(H2,174,180,182)(H2,175,181,183)(H,199,228,236)(H3,176,197,198,229);31-37,47-50,59-78,82-91,105-109,151H,15-30,38-46H2,1-14H3,(H,163,164)(H,165,166)(H,167,221)(H,168,222)(H,169,223)(H,170,224)(H,171,225)(H,172,226)(H,173,227)(H2,118,132,156)(H2,119,133,157)(H2,120,134,158)(H2,121,135,159)(H2,122,136,160)(H2,123,125,126)(H,130,131,154)(H,139,152,161)(H,140,153,162)(H3,124,137,138,155)/p-20/t88?,89?,90?,91?,92?,93?,94?,95?,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,111-,112-,113-,114-,115-,116?,117?,118?,122+,123+,124+,125-,126-,127?,128?,129?,130?,131?,132?,133+,134+,135+,136+,137+,151-,152-,153-,154-,155-,156-,157-,158-,167?,309?,310?,311?,312?,313?,314?;59-,60?,61?,62?,63?,64?,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,82?,83?,84?,85?,86?,87+,88+,89+,90+,91+,105-,106-,107-,108-,109-,214?,215?,216?,217?,218?,219?,220?/m11/s1
InChIKeyKRESYTPCKJQQTL-XCHJCIPXSA-A
XLogP-24.18
TPSA3117.47 Ų
H-Bond Donors40
H-Bond Acceptors229
Rotatable Bonds200
Heavy Atoms547
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5008381.07
LogP ≤ 5-24.18
H-Bond Donors ≤ 540
H-Bond Acceptors ≤ 10229

Analyze [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [[4-[[1,3-bis[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methyl phosphate;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [[4-[[1,3-bis[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methyl phosphate;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate?
The IUPAC name of [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [[4-[[1,3-bis[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methyl phosphate;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate (CID 159216963) is [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [[4-[[1,3-bis[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methyl phosphate;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate.
What is the SMILES notation for [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [[4-[[1,3-bis[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methyl phosphate;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate?
The canonical SMILES for [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [[4-[[1,3-bis[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methyl phosphate;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate is CC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)CC1OP([O-])(=S)OC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)CC1OP(=O)([S-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1OP([O-])(=S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)CC1OP([O-])(=S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1OP([O-])(=S)OC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)[C@@H](OCCOC)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)[C@@H](OCCOC)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](OCCOC)C1OP([O-])(=S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@@H](OCCOC)C1OP([O-])(=S)OC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)[C@@H](OCCOC)C1O.COCCO[C@H]1C(OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cc(C)c(N)nc3=O)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cc(C)c(N)nc3=O)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cc(C)c(N)nc3=O)CC2OP([O-])(=S)OC)[C@@H](COP(=O)([O-])OC2[C@@H](COP(=O)([O-])OC3[C@@H](COP(=O)([O-])OC4[C@@H](COP([O-])(=S)OC5[C@@H](COP(=O)([O-])OCNC(=O)CCC(=O)NC(COCCC(=O)NCCCO[C@@H]6OC(CO)[C@H](O)C(O)C6NC(C)=O)(COCCC(=O)NCCCO[C@@H]6OC(CO)[C@H](O)[C@H](O)C6NC(C)=O)COCCC(=O)NCCCO[C@@H]6OC(CO)[C@H](O)[C@H](O)C6NC(C)=O)O[C@@H](n6cnc7c(N)ncnc76)[C@H]5OCCOC)O[C@@H](n5cc(C)c(=O)[nH]c5=O)[C@H]4OCCOC)O[C@@H](n4cc(C)c(N)nc4=O)[C@H]3OCCOC)O[C@@H](n3cc(C)c(N)nc3=O)[C@H]2OCCOC)O[C@H]1n1cc(C)c(N)nc1=O.
What is the InChIKey of [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [[4-[[1,3-bis[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methyl phosphate;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate?
The InChIKey is KRESYTPCKJQQTL-XCHJCIPXSA-A. The full InChI is InChI=1S/C167H256N43O93P11S6.C117H166N33O61P9S7/c1-78-49-201(160(230)191-138(78)168)111-44-88(294-309(247,315)258-16)97(281-111)60-275-310(248,316)295-89-45-112(202-50-79(2)139(169)192-161(202)231)283-99(89)62-277-313(251,319)298-92-48-115(209-75-186-121-148(209)197-159(176)198-150(121)229)285-100(92)63-278-311(249,317)296-90-46-113(203-51-80(3)140(170)193-162(203)232)282-98(90)61-276-312(250,318)297-91-47-114(208-74-184-119-144(174)180-72-182-146(119)208)284-96(91)59-271-305(239,240)299-128-101(286-151(133(128)262-39-34-253-11)204-52-81(4)141(171)194-163(204)233)65-272-306(241,242)300-129-102(287-152(134(129)263-40-35-254-12)205-53-82(5)142(172)195-164(205)234)66-273-307(243,244)301-130-103(288-153(135(130)264-41-36-255-13)206-54-83(6)143(173)196-165(206)235)67-274-308(245,246)302-131-105(289-154(136(131)265-42-37-256-14)207-55-84(7)149(228)199-166(207)236)68-279-314(252,320)303-132-104(290-155(137(132)266-43-38-257-15)210-76-185-120-145(175)181-73-183-147(120)210)64-270-304(237,238)280-77-187-106(217)20-21-110(221)200-167(69-259-31-22-107(218)177-25-17-28-267-156-116(188-85(8)214)125(225)122(222)93(56-211)291-156,70-260-32-23-108(219)178-26-18-29-268-157-117(189-86(9)215)126(226)123(223)94(57-212)292-157)71-261-33-24-109(220)179-27-19-30-269-158-118(190-87(10)216)127(227)124(224)95(58-213)293-158;1-15-59-60(26-74(193-59)141-31-51(2)92(118)132-111(141)156)203-214(167,221)186-38-65-61(27-75(194-65)142-32-52(3)93(119)133-112(142)157)204-215(168,222)187-39-66-62(28-76(195-66)143-36-56(7)101(152)139-116(143)161)205-216(169,223)189-41-68-64(30-78(197-68)148-48-128-81-100(148)137-110(124)138-104(81)155)207-217(170,224)188-40-67-63(29-77(196-67)144-37-57(8)102(153)140-117(144)162)206-218(171,225)191-45-72-84(89(181-23-18-176-12)107(200-72)147-35-55(6)96(122)136-115(147)160)209-212(163,164)184-43-70-83(88(180-22-17-175-11)106(199-70)146-34-54(5)95(121)135-114(146)159)208-213(165,166)185-44-71-85(90(182-24-19-177-13)108(201-71)149-49-127-79-97(123)125-47-126-98(79)149)210-220(173,227)192-46-73-86(91(183-25-20-178-14)109(202-73)150-50-129-80-99(150)130-58(9)131-103(80)154)211-219(172,226)190-42-69-82(151)87(179-21-16-174-10)105(198-69)145-33-53(4)94(120)134-113(145)158/h49-55,72-76,88-105,111-118,122-137,151-158,211-213,222-227H,17-48,56-71,77H2,1-16H3,(H,177,218)(H,178,219)(H,179,220)(H,187,217)(H,188,214)(H,189,215)(H,190,216)(H,200,221)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,315)(H,248,316)(H,249,317)(H,250,318)(H,251,319)(H,252,320)(H2,168,191,230)(H2,169,192,231)(H2,170,193,232)(H2,171,194,233)(H2,172,195,234)(H2,173,196,235)(H2,174,180,182)(H2,175,181,183)(H,199,228,236)(H3,176,197,198,229);31-37,47-50,59-78,82-91,105-109,151H,15-30,38-46H2,1-14H3,(H,163,164)(H,165,166)(H,167,221)(H,168,222)(H,169,223)(H,170,224)(H,171,225)(H,172,226)(H,173,227)(H2,118,132,156)(H2,119,133,157)(H2,120,134,158)(H2,121,135,159)(H2,122,136,160)(H2,123,125,126)(H,130,131,154)(H,139,152,161)(H,140,153,162)(H3,124,137,138,155)/p-20/t88?,89?,90?,91?,92?,93?,94?,95?,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,111-,112-,113-,114-,115-,116?,117?,118?,122+,123+,124+,125-,126-,127?,128?,129?,130?,131?,132?,133+,134+,135+,136+,137+,151-,152-,153-,154-,155-,156-,157-,158-,167?,309?,310?,311?,312?,313?,314?;59-,60?,61?,62?,63?,64?,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,82?,83?,84?,85?,86?,87+,88+,89+,90+,91+,105-,106-,107-,108-,109-,214?,215?,216?,217?,218?,219?,220?/m11/s1.
What are the key properties of [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [[4-[[1,3-bis[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methyl phosphate;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate?
[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [[4-[[1,3-bis[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methyl phosphate;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate has a molecular weight of 8381.07 g/mol, XLogP of -24.18, 200 rotatable bonds, 40 hydrogen bond donors, and 229 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [[4-[[1,3-bis[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methyl phosphate;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate is sourced from PubChem (CID 159216963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).