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

C170H246N42O90P11S8-11 — CID 176618698

About [(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,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[[4-[[1,3-bis[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methoxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]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,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[[4-[[1,3-bis[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methoxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate (PubChem CID 176618698) has the molecular formula C170H246N42O90P11S8-11 and a molecular weight of 4915.29 g/mol. Its IUPAC name is [(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,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[[4-[[1,3-bis[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methoxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate.

Molecular Properties

• Compound Name: [(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,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[[4-[[1,3-bis[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methoxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate
• PubChem CID: 176618698
• Molecular Formula: C170H246N42O90P11S8-11
• Molecular Weight: 4915.29 g/mol
• Exact Mass: 4912.09
• IUPAC Name: [(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,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[[4-[[1,3-bis[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methoxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate
• SMILES: COCCO[C@H]1C(OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](OCCOC)C2OP([O-])(=S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)CC2OP([O-])(=S)OC)[C@@H](COP(=O)([O-])OC2[C@@H](COP(=O)([S-])OC3[C@@H](COP([O-])(=S)OC4[C@@H](COP(=O)([O-])OCNC(=O)CCC(=O)NC(COCCC(=O)NCCCO[C@@H]5CC(CO)C(O)[C@H](O)C5NC(C)=O)(COCCC(=O)NCCCO[C@@H]5CC(CO)[C@H](O)[C@H](O)C5NC(C)=O)COCCC(=O)NCCCO[C@@H]5CC(CO)[C@H](O)[C@H](O)C5NC(C)=O)O[C@@H](n5cc(C)c(=O)[nH]c5=O)[C@H]4OCCOC)O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H]3OCCOC)O[C@@H](n3cc(C)c(N)nc3=O)[C@H]2OCCOC)O[C@H]1n1cc(C)c(N)nc1=O
• InChI: InChI=1S/C170H257N42O90P11S8/c1-81-51-206(164(235)194-144(81)171)158-139(267-38-33-255-10)134(298-305(245,246)274-67-108-137(142(270-41-36-258-13)161(291-108)211-78-188-126-148(175)182-75-185-151(126)211)301-311(252,319)279-64-104-96(48-118(285-104)205-55-85(5)155(232)200-168(205)239)296-308(249,316)277-62-102-94(46-116(283-102)203-53-83(3)153(230)198-166(203)237)294-307(248,315)276-61-103-95(47-117(284-103)204-54-84(4)154(231)199-167(204)238)295-309(250,317)278-63-105-97(50-120(287-105)210-77-187-125-147(174)181-74-184-150(125)210)297-310(251,318)275-60-101-93(293-306(247,314)260-15)49-119(286-101)209-76-186-124-146(173)180-73-183-149(124)209)106(288-158)66-273-304(243,244)299-135-109(290-159(140(135)268-39-34-256-11)207-52-82(2)145(172)195-165(207)236)68-280-312(253,320)302-138-110(292-162(143(138)271-42-37-259-14)212-79-189-127-152(212)196-163(176)197-157(127)234)69-281-313(254,321)300-136-107(289-160(141(136)269-40-35-257-12)208-56-86(6)156(233)201-169(208)240)65-272-303(241,242)282-80-190-111(219)19-20-115(223)202-170(70-261-30-21-112(220)177-24-16-27-264-98-43-90(57-213)128(224)131(227)121(98)191-87(7)216,71-262-31-22-113(221)178-25-17-28-265-99-44-91(58-214)129(225)132(228)122(99)192-88(8)217)72-263-32-23-114(222)179-26-18-29-266-100-45-92(59-215)130(226)133(229)123(100)193-89(9)218/h51-56,73-79,90-110,116-123,128-143,158-162,213-215,224-229H,16-50,57-72,80H2,1-15H3,(H,177,220)(H,178,221)(H,179,222)(H,190,219)(H,191,216)(H,192,217)(H,193,218)(H,202,223)(H,241,242)(H,243,244)(H,245,246)(H,247,314)(H,248,315)(H,249,316)(H,250,317)(H,251,318)(H,252,319)(H,253,320)(H,254,321)(H2,171,194,235)(H2,172,195,236)(H2,173,180,183)(H2,174,181,184)(H2,175,182,185)(H,198,230,237)(H,199,231,238)(H,200,232,239)(H,201,233,240)(H3,176,196,197,234)/p-11/t90?,91?,92?,93?,94?,95?,96?,97?,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,116-,117-,118-,119-,120-,121?,122?,123?,128+,129+,130?,131-,132-,133-,134?,135?,136?,137?,138?,139+,140+,141+,142+,143+,158-,159-,160-,161-,162-,170?,306?,307?,308?,309?,310?,311?,312?,313?/m1/s1
• InChIKey: MMBMXTNKOKFJEI-YZSDXHGLSA-C
• XLogP: -15.07
• TPSA: 1796.50 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 127
• Rotatable Bonds: 124
• Heavy Atoms: 321
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4915.29
LogP ≤ 5	-15.07
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	127

Frequently Asked Questions

What is the IUPAC name of [(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,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[[4-[[1,3-bis[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methoxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate?

The IUPAC name of [(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,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[[4-[[1,3-bis[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methoxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate (CID 176618698) is [(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,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[[4-[[1,3-bis[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methoxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate.

What is the SMILES notation for [(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,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[[4-[[1,3-bis[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methoxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate?

The canonical SMILES for [(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,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[[4-[[1,3-bis[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methoxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate is COCCO[C@H]1C(OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](OCCOC)C2OP([O-])(=S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)CC2OP([O-])(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)CC2OP([O-])(=S)OC)[C@@H](COP(=O)([O-])OC2[C@@H](COP(=O)([S-])OC3[C@@H](COP([O-])(=S)OC4[C@@H](COP(=O)([O-])OCNC(=O)CCC(=O)NC(COCCC(=O)NCCCO[C@@H]5CC(CO)C(O)[C@H](O)C5NC(C)=O)(COCCC(=O)NCCCO[C@@H]5CC(CO)[C@H](O)[C@H](O)C5NC(C)=O)COCCC(=O)NCCCO[C@@H]5CC(CO)[C@H](O)[C@H](O)C5NC(C)=O)O[C@@H](n5cc(C)c(=O)[nH]c5=O)[C@H]4OCCOC)O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[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)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[[4-[[1,3-bis[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methoxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate?

The InChIKey is MMBMXTNKOKFJEI-YZSDXHGLSA-C. The full InChI is InChI=1S/C170H257N42O90P11S8/c1-81-51-206(164(235)194-144(81)171)158-139(267-38-33-255-10)134(298-305(245,246)274-67-108-137(142(270-41-36-258-13)161(291-108)211-78-188-126-148(175)182-75-185-151(126)211)301-311(252,319)279-64-104-96(48-118(285-104)205-55-85(5)155(232)200-168(205)239)296-308(249,316)277-62-102-94(46-116(283-102)203-53-83(3)153(230)198-166(203)237)294-307(248,315)276-61-103-95(47-117(284-103)204-54-84(4)154(231)199-167(204)238)295-309(250,317)278-63-105-97(50-120(287-105)210-77-187-125-147(174)181-74-184-150(125)210)297-310(251,318)275-60-101-93(293-306(247,314)260-15)49-119(286-101)209-76-186-124-146(173)180-73-183-149(124)209)106(288-158)66-273-304(243,244)299-135-109(290-159(140(135)268-39-34-256-11)207-52-82(2)145(172)195-165(207)236)68-280-312(253,320)302-138-110(292-162(143(138)271-42-37-259-14)212-79-189-127-152(212)196-163(176)197-157(127)234)69-281-313(254,321)300-136-107(289-160(141(136)269-40-35-257-12)208-56-86(6)156(233)201-169(208)240)65-272-303(241,242)282-80-190-111(219)19-20-115(223)202-170(70-261-30-21-112(220)177-24-16-27-264-98-43-90(57-213)128(224)131(227)121(98)191-87(7)216,71-262-31-22-113(221)178-25-17-28-265-99-44-91(58-214)129(225)132(228)122(99)192-88(8)217)72-263-32-23-114(222)179-26-18-29-266-100-45-92(59-215)130(226)133(229)123(100)193-89(9)218/h51-56,73-79,90-110,116-123,128-143,158-162,213-215,224-229H,16-50,57-72,80H2,1-15H3,(H,177,220)(H,178,221)(H,179,222)(H,190,219)(H,191,216)(H,192,217)(H,193,218)(H,202,223)(H,241,242)(H,243,244)(H,245,246)(H,247,314)(H,248,315)(H,249,316)(H,250,317)(H,251,318)(H,252,319)(H,253,320)(H,254,321)(H2,171,194,235)(H2,172,195,236)(H2,173,180,183)(H2,174,181,184)(H2,175,182,185)(H,198,230,237)(H,199,231,238)(H,200,232,239)(H,201,233,240)(H3,176,196,197,234)/p-11/t90?,91?,92?,93?,94?,95?,96?,97?,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,116-,117-,118-,119-,120-,121?,122?,123?,128+,129+,130?,131-,132-,133-,134?,135?,136?,137?,138?,139+,140+,141+,142+,143+,158-,159-,160-,161-,162-,170?,306?,307?,308?,309?,310?,311?,312?,313?/m1/s1.

What are the key properties of [(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,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[[4-[[1,3-bis[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methoxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]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,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[[4-[[1,3-bis[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methoxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate has a molecular weight of 4915.29 g/mol, XLogP of -15.07, 124 rotatable bonds, 28 hydrogen bond donors, and 127 hydrogen bond acceptors.

Where does this data come from?

All data for [(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,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[[4-[[1,3-bis[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoyl]amino]methoxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl phosphate is sourced from PubChem (CID 176618698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).