[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[1-[6-[3-[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]-2-[[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]methyl]-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethyldisulfanyl]propanoylamino]propoxy]-4-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate

C104H159N28O63P9S5 — CID 58107656

About [[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[1-[6-[3-[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]-2-[[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]methyl]-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethyldisulfanyl]propanoylamino]propoxy]-4-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate

[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[1-[6-[3-[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]-2-[[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]methyl]-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethyldisulfanyl]propanoylamino]propoxy]-4-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate (PubChem CID 58107656) has the molecular formula C104H159N28O63P9S5 and a molecular weight of 3248.65 g/mol. Its IUPAC name is [[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[1-[6-[3-[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]-2-[[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]methyl]-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethyldisulfanyl]propanoylamino]propoxy]-4-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate.

Molecular Properties

• Compound Name: [[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[1-[6-[3-[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]-2-[[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]methyl]-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethyldisulfanyl]propanoylamino]propoxy]-4-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate
• PubChem CID: 58107656
• Molecular Formula: C104H159N28O63P9S5
• Molecular Weight: 3248.65 g/mol
• Exact Mass: 3246.63
• IUPAC Name: [[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[1-[6-[3-[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]-2-[[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]methyl]-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethyldisulfanyl]propanoylamino]propoxy]-4-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate
• SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)C1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC1CC(=O)N(CCCC(=O)CCOCC(COCCC(=O)NCCN2C(=O)CC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](O)C3OP(=O)(O)O)C2=O)(COCCC(=O)NCCN2C(=O)CC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](O)C3OP(=O)(O)O)C2=O)NC(=O)CCSSCCN2C(=O)C=CC2=O)C1=O
• InChI: InChI=1S/C104H159N28O63P9S5/c1-101(2,44-184-202(172,173)193-199(166,167)181-41-57-80(190-196(157,158)159)77(145)98(187-57)130-53-122-74-86(105)116-50-119-89(74)130)83(148)92(151)113-18-11-63(134)110-23-34-205-60-38-71(142)127(95(60)154)26-7-8-56(133)14-30-178-47-104(125-68(139)17-33-208-209-37-29-126-69(140)9-10-70(126)141,48-179-31-15-66(137)108-21-27-128-72(143)39-61(96(128)155)206-35-24-111-64(135)12-19-114-93(152)84(149)102(3,4)45-185-203(174,175)194-200(168,169)182-42-58-81(191-197(160,161)162)78(146)99(188-58)131-54-123-75-87(106)117-51-120-90(75)131)49-180-32-16-67(138)109-22-28-129-73(144)40-62(97(129)156)207-36-25-112-65(136)13-20-115-94(153)85(150)103(5,6)46-186-204(176,177)195-201(170,171)183-43-59-82(192-198(163,164)165)79(147)100(189-59)132-55-124-76-88(107)118-52-121-91(76)132/h9-10,50-55,57-62,77-85,98-100,145-150H,7-8,11-49H2,1-6H3,(H,108,137)(H,109,138)(H,110,134)(H,111,135)(H,112,136)(H,113,151)(H,114,152)(H,115,153)(H,125,139)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H,176,177)(H2,105,116,119)(H2,106,117,120)(H2,107,118,121)(H2,157,158,159)(H2,160,161,162)(H2,163,164,165)/t57-,58-,59-,60?,61?,62?,77+,78+,79+,80?,81?,82?,83+,84+,85+,98-,99-,100-,104?/m1/s1
• InChIKey: FPNXOFMJWHZUQR-JGJAGLCZSA-N
• XLogP: -6.82
• TPSA: 1321.26 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 71
• Rotatable Bonds: 93
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3248.65
LogP ≤ 5	-6.82
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	71

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[1-[6-[3-[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]-2-[[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]methyl]-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethyldisulfanyl]propanoylamino]propoxy]-4-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate?

The IUPAC name of [[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[1-[6-[3-[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]-2-[[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]methyl]-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethyldisulfanyl]propanoylamino]propoxy]-4-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate (CID 58107656) is [[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[1-[6-[3-[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]-2-[[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]methyl]-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethyldisulfanyl]propanoylamino]propoxy]-4-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate.

What is the SMILES notation for [[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[1-[6-[3-[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]-2-[[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]methyl]-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethyldisulfanyl]propanoylamino]propoxy]-4-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate?

The canonical SMILES for [[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[1-[6-[3-[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]-2-[[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]methyl]-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethyldisulfanyl]propanoylamino]propoxy]-4-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate is CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)C1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC1CC(=O)N(CCCC(=O)CCOCC(COCCC(=O)NCCN2C(=O)CC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](O)C3OP(=O)(O)O)C2=O)(COCCC(=O)NCCN2C(=O)CC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](O)C3OP(=O)(O)O)C2=O)NC(=O)CCSSCCN2C(=O)C=CC2=O)C1=O.

What is the InChIKey of [[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[1-[6-[3-[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]-2-[[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]methyl]-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethyldisulfanyl]propanoylamino]propoxy]-4-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate?

The InChIKey is FPNXOFMJWHZUQR-JGJAGLCZSA-N. The full InChI is InChI=1S/C104H159N28O63P9S5/c1-101(2,44-184-202(172,173)193-199(166,167)181-41-57-80(190-196(157,158)159)77(145)98(187-57)130-53-122-74-86(105)116-50-119-89(74)130)83(148)92(151)113-18-11-63(134)110-23-34-205-60-38-71(142)127(95(60)154)26-7-8-56(133)14-30-178-47-104(125-68(139)17-33-208-209-37-29-126-69(140)9-10-70(126)141,48-179-31-15-66(137)108-21-27-128-72(143)39-61(96(128)155)206-35-24-111-64(135)12-19-114-93(152)84(149)102(3,4)45-185-203(174,175)194-200(168,169)182-42-58-81(191-197(160,161)162)78(146)99(188-58)131-54-123-75-87(106)117-51-120-90(75)131)49-180-32-16-67(138)109-22-28-129-73(144)40-62(97(129)156)207-36-25-112-65(136)13-20-115-94(153)85(150)103(5,6)46-186-204(176,177)195-201(170,171)183-43-59-82(192-198(163,164)165)79(147)100(189-59)132-55-124-76-88(107)118-52-121-91(76)132/h9-10,50-55,57-62,77-85,98-100,145-150H,7-8,11-49H2,1-6H3,(H,108,137)(H,109,138)(H,110,134)(H,111,135)(H,112,136)(H,113,151)(H,114,152)(H,115,153)(H,125,139)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H,176,177)(H2,105,116,119)(H2,106,117,120)(H2,107,118,121)(H2,157,158,159)(H2,160,161,162)(H2,163,164,165)/t57-,58-,59-,60?,61?,62?,77+,78+,79+,80?,81?,82?,83+,84+,85+,98-,99-,100-,104?/m1/s1.

What are the key properties of [[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[1-[6-[3-[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]-2-[[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]methyl]-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethyldisulfanyl]propanoylamino]propoxy]-4-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate?

[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[1-[6-[3-[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]-2-[[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]methyl]-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethyldisulfanyl]propanoylamino]propoxy]-4-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate has a molecular weight of 3248.65 g/mol, XLogP of -6.82, 93 rotatable bonds, 30 hydrogen bond donors, and 71 hydrogen bond acceptors.

Where does this data come from?

All data for [[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[1-[6-[3-[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]-2-[[3-[2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]-3-oxopropoxy]methyl]-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethyldisulfanyl]propanoylamino]propoxy]-4-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate is sourced from PubChem (CID 58107656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).