1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-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-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,4S,5R)-3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [(1S,3R,4S,6S)-3-(6-aminopurin-9-yl)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] phosphate;[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-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]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate

C197H253N59O107P16S12-16 — CID 158763775

About 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-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-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,4S,5R)-3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [(1S,3R,4S,6S)-3-(6-aminopurin-9-yl)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] phosphate;[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-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]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate

1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-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-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,4S,5R)-3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [(1S,3R,4S,6S)-3-(6-aminopurin-9-yl)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] phosphate;[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-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]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate (PubChem CID 158763775) has the molecular formula C197H253N59O107P16S12-16 and a molecular weight of 6039.89 g/mol. Its IUPAC name is 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-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-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,4S,5R)-3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [(1S,3R,4S,6S)-3-(6-aminopurin-9-yl)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] phosphate;[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-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]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate.

Molecular Properties

• Compound Name: 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-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-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,4S,5R)-3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [(1S,3R,4S,6S)-3-(6-aminopurin-9-yl)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] phosphate;[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-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]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate
• PubChem CID: 158763775
• Molecular Formula: C197H253N59O107P16S12-16
• Molecular Weight: 6039.89 g/mol
• Exact Mass: 6035.87
• IUPAC Name: 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-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-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,4S,5R)-3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [(1S,3R,4S,6S)-3-(6-aminopurin-9-yl)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] phosphate;[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-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]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate
• SMILES: COCCO[C@H]1C(O)[C@@H](COP([O-])(=S)OC2[C@@H](COP(=O)([S-])OC3[C@@H](COP(=O)([O-])OC4[C@@H]5O[C@@H](C)[C@]4(COP(=O)([O-])OC4[C@@H]6O[C@@H](C)[C@]4(C)O[C@H]6n4cnc6c(N)ncnc64)O[C@H]5n4cnc5c(=O)[nH]c(N)nc54)O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H]3OCCOC)O[C@@H](n3cnc4c(N)ncnc43)[C@H]2OCCOC)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COCCO[C@H]1C(OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](OCCOC)C2OP(=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](n3cnc4c(=O)[nH]c(N)nc43)CC2OP([O-])(=S)OC)[C@@H](COP([O-])(=S)OC2[C@@H](CO)O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H]2OCCOC)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COP([O-])(=S)OC1C[C@H](n2cc(C)c(N)nc2=O)O[C@@H]1COP([O-])(=S)OC1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP([O-])(=S)OC1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP([O-])(=S)OC1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP([O-])(=S)OC1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP([O-])(=S)OC1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1C
• InChI: InChI=1S/C73H103N21O42P6S4.C63H84N22O32P4S2.C61H82N16O33P6S6/c1-33-19-89(71(100)86-62(33)96)44-17-37(132-140(108,144)122-23-39-36(131-139(107,143)115-8)18-45(126-39)92-30-83-48-61(92)84-70(76)85-65(48)99)40(125-44)24-123-141(109,145)136-52-42(130-69(56(52)119-16-12-114-7)94-32-82-47-58(75)78-29-80-60(47)94)26-121-138(105,106)133-50-41(129-68(55(50)118-15-11-113-6)93-31-81-46-57(74)77-28-79-59(46)93)25-120-137(103,104)134-51-43(128-67(54(51)117-14-10-112-5)91-21-35(3)64(98)88-73(91)102)27-124-142(110,146)135-49-38(22-95)127-66(53(49)116-13-9-111-4)90-20-34(2)63(97)87-72(90)101;1-25-14-81(61(90)80-51(25)87)54-38(100-11-8-97-5)35(86)28(109-54)15-104-120(95,122)115-37-30(111-55(39(37)101-12-9-98-6)82-21-72-31-45(64)68-19-70-47(31)82)17-105-121(96,123)114-36-29(110-56(40(36)102-13-10-99-7)84-23-74-33-49(84)76-59(66)78-52(33)88)16-103-118(91,92)117-44-42-58(85-24-75-34-50(85)77-60(67)79-53(34)89)113-63(44,27(3)108-42)18-106-119(93,94)116-43-41-57(112-62(43,4)26(2)107-41)83-22-73-32-46(65)69-20-71-48(32)83;1-26-14-72(57(82)67-50(26)62)44-9-33(106-111(87,117)93-7)38(100-44)19-95-113(89,119)108-35-11-46(75-17-29(4)55(80)70-60(75)85)103-41(35)22-97-116(92,122)110-37-13-48(77-25-66-49-51(63)64-24-65-52(49)77)104-42(37)23-98-115(91,121)109-36-12-47(76-18-30(5)56(81)71-61(76)86)102-40(36)21-96-114(90,120)107-34-10-45(74-16-28(3)54(79)69-59(74)84)101-39(34)20-94-112(88,118)105-32-8-43(99-31(32)6)73-15-27(2)53(78)68-58(73)83/h19-21,28-32,36-45,49-56,66-69,95H,9-18,22-27H2,1-8H3,(H,103,104)(H,105,106)(H,107,143)(H,108,144)(H,109,145)(H,110,146)(H2,74,77,79)(H2,75,78,80)(H,86,96,100)(H,87,97,101)(H,88,98,102)(H3,76,84,85,99);14,19-24,26-30,35-44,54-58,86H,8-13,15-18H2,1-7H3,(H,91,92)(H,93,94)(H,95,122)(H,96,123)(H2,64,68,70)(H2,65,69,71)(H,80,87,90)(H3,66,76,78,88)(H3,67,77,79,89);14-18,24-25,31-48H,8-13,19-23H2,1-7H3,(H,87,117)(H,88,118)(H,89,119)(H,90,120)(H,91,121)(H,92,122)(H2,62,67,82)(H2,63,64,65)(H,68,78,83)(H,69,79,84)(H,70,80,85)(H,71,81,86)/p-16/t36?,37?,38-,39-,40-,41-,42-,43-,44-,45-,49?,50?,51?,52?,53+,54+,55+,56+,66-,67-,68-,69-,139?,140?,141?,142?;26-,27-,28+,29+,30+,35?,36?,37?,38-,39-,40-,41-,42-,43?,44?,54+,55+,56+,57+,58+,62-,63-,120?,121?;31-,32?,33?,34?,35?,36?,37?,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,111?,112?,113?,114?,115?,116?/m101/s1
• InChIKey: IOZQATSPNQKLOU-FGFSKEDPSA-A
• XLogP: -13.81
• TPSA: 2188.32 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 167
• Rotatable Bonds: 122
• Heavy Atoms: 391
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6039.89
LogP ≤ 5	-13.81
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	167

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-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-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,4S,5R)-3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [(1S,3R,4S,6S)-3-(6-aminopurin-9-yl)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] phosphate;[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-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]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate?

The IUPAC name of 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-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-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,4S,5R)-3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [(1S,3R,4S,6S)-3-(6-aminopurin-9-yl)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] phosphate;[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-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]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate (CID 158763775) is 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-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-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,4S,5R)-3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [(1S,3R,4S,6S)-3-(6-aminopurin-9-yl)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] phosphate;[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-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]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate.

What is the SMILES notation for 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-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-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,4S,5R)-3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [(1S,3R,4S,6S)-3-(6-aminopurin-9-yl)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] phosphate;[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-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]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate?

The canonical SMILES for 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-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-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,4S,5R)-3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [(1S,3R,4S,6S)-3-(6-aminopurin-9-yl)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] phosphate;[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-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]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate is COCCO[C@H]1C(O)[C@@H](COP([O-])(=S)OC2[C@@H](COP(=O)([S-])OC3[C@@H](COP(=O)([O-])OC4[C@@H]5O[C@@H](C)[C@]4(COP(=O)([O-])OC4[C@@H]6O[C@@H](C)[C@]4(C)O[C@H]6n4cnc6c(N)ncnc64)O[C@H]5n4cnc5c(=O)[nH]c(N)nc54)O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H]3OCCOC)O[C@@H](n3cnc4c(N)ncnc43)[C@H]2OCCOC)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COCCO[C@H]1C(OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](OCCOC)C2OP(=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](n3cnc4c(=O)[nH]c(N)nc43)CC2OP([O-])(=S)OC)[C@@H](COP([O-])(=S)OC2[C@@H](CO)O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H]2OCCOC)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COP([O-])(=S)OC1C[C@H](n2cc(C)c(N)nc2=O)O[C@@H]1COP([O-])(=S)OC1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP([O-])(=S)OC1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP([O-])(=S)OC1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP([O-])(=S)OC1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP([O-])(=S)OC1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1C.

What is the InChIKey of 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-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-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,4S,5R)-3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [(1S,3R,4S,6S)-3-(6-aminopurin-9-yl)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] phosphate;[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-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]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate?

The InChIKey is IOZQATSPNQKLOU-FGFSKEDPSA-A. The full InChI is InChI=1S/C73H103N21O42P6S4.C63H84N22O32P4S2.C61H82N16O33P6S6/c1-33-19-89(71(100)86-62(33)96)44-17-37(132-140(108,144)122-23-39-36(131-139(107,143)115-8)18-45(126-39)92-30-83-48-61(92)84-70(76)85-65(48)99)40(125-44)24-123-141(109,145)136-52-42(130-69(56(52)119-16-12-114-7)94-32-82-47-58(75)78-29-80-60(47)94)26-121-138(105,106)133-50-41(129-68(55(50)118-15-11-113-6)93-31-81-46-57(74)77-28-79-59(46)93)25-120-137(103,104)134-51-43(128-67(54(51)117-14-10-112-5)91-21-35(3)64(98)88-73(91)102)27-124-142(110,146)135-49-38(22-95)127-66(53(49)116-13-9-111-4)90-20-34(2)63(97)87-72(90)101;1-25-14-81(61(90)80-51(25)87)54-38(100-11-8-97-5)35(86)28(109-54)15-104-120(95,122)115-37-30(111-55(39(37)101-12-9-98-6)82-21-72-31-45(64)68-19-70-47(31)82)17-105-121(96,123)114-36-29(110-56(40(36)102-13-10-99-7)84-23-74-33-49(84)76-59(66)78-52(33)88)16-103-118(91,92)117-44-42-58(85-24-75-34-50(85)77-60(67)79-53(34)89)113-63(44,27(3)108-42)18-106-119(93,94)116-43-41-57(112-62(43,4)26(2)107-41)83-22-73-32-46(65)69-20-71-48(32)83;1-26-14-72(57(82)67-50(26)62)44-9-33(106-111(87,117)93-7)38(100-44)19-95-113(89,119)108-35-11-46(75-17-29(4)55(80)70-60(75)85)103-41(35)22-97-116(92,122)110-37-13-48(77-25-66-49-51(63)64-24-65-52(49)77)104-42(37)23-98-115(91,121)109-36-12-47(76-18-30(5)56(81)71-61(76)86)102-40(36)21-96-114(90,120)107-34-10-45(74-16-28(3)54(79)69-59(74)84)101-39(34)20-94-112(88,118)105-32-8-43(99-31(32)6)73-15-27(2)53(78)68-58(73)83/h19-21,28-32,36-45,49-56,66-69,95H,9-18,22-27H2,1-8H3,(H,103,104)(H,105,106)(H,107,143)(H,108,144)(H,109,145)(H,110,146)(H2,74,77,79)(H2,75,78,80)(H,86,96,100)(H,87,97,101)(H,88,98,102)(H3,76,84,85,99);14,19-24,26-30,35-44,54-58,86H,8-13,15-18H2,1-7H3,(H,91,92)(H,93,94)(H,95,122)(H,96,123)(H2,64,68,70)(H2,65,69,71)(H,80,87,90)(H3,66,76,78,88)(H3,67,77,79,89);14-18,24-25,31-48H,8-13,19-23H2,1-7H3,(H,87,117)(H,88,118)(H,89,119)(H,90,120)(H,91,121)(H,92,122)(H2,62,67,82)(H2,63,64,65)(H,68,78,83)(H,69,79,84)(H,70,80,85)(H,71,81,86)/p-16/t36?,37?,38-,39-,40-,41-,42-,43-,44-,45-,49?,50?,51?,52?,53+,54+,55+,56+,66-,67-,68-,69-,139?,140?,141?,142?;26-,27-,28+,29+,30+,35?,36?,37?,38-,39-,40-,41-,42-,43?,44?,54+,55+,56+,57+,58+,62-,63-,120?,121?;31-,32?,33?,34?,35?,36?,37?,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,111?,112?,113?,114?,115?,116?/m101/s1.

What are the key properties of 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-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-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,4S,5R)-3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [(1S,3R,4S,6S)-3-(6-aminopurin-9-yl)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] phosphate;[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-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]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate?

1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-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-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,4S,5R)-3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [(1S,3R,4S,6S)-3-(6-aminopurin-9-yl)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] phosphate;[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-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]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate has a molecular weight of 6039.89 g/mol, XLogP of -13.81, 122 rotatable bonds, 22 hydrogen bond donors, and 167 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-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-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,4S,5R)-3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [(1S,3R,4S,6S)-3-(6-aminopurin-9-yl)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] phosphate;[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-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]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate is sourced from PubChem (CID 158763775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).