[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl phosphate

C102H117F5N40O62P10S2-10 — CID 171771623

About [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl phosphate

[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl phosphate (PubChem CID 171771623) has the molecular formula C102H117F5N40O62P10S2-10 and a molecular weight of 3364.14 g/mol. Its IUPAC name is [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl phosphate.

Molecular Properties

• Compound Name: [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl phosphate
• PubChem CID: 171771623
• Molecular Formula: C102H117F5N40O62P10S2-10
• Molecular Weight: 3364.14 g/mol
• Exact Mass: 3362.40
• IUPAC Name: [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl phosphate
• SMILES: CO[C@H]1C(OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](F)C2OP(=O)([O-])OC)[C@@H](COP(=O)([O-])OC2[C@@H](COP(=O)([O-])OC3[C@@H](COP(=O)([O-])OC4[C@@H](COP(=O)([O-])OC5[C@@H](COP(=O)([O-])OC6[C@@H](COP(=O)([O-])OC7[C@@H](COP([O-])(=S)OC8[C@@H](COP(=O)([S-])OC9[C@@H](CO)O[C@@H](n%10ccc(=O)[nH]c%10=O)[C@H]9OC)O[C@@H](n9cnc%10c(=O)[nH]c(N)nc%109)[C@H]8F)O[C@@H](n8cnc9c(N)ncnc98)[C@H]7OC)O[C@@H](n7cnc8c(=O)[nH]c(N)nc87)[C@H]6F)O[C@@H](n6cnc7c(N)ncnc76)[C@H]5OC)O[C@@H](n5cnc6c(N)ncnc65)[C@H]4F)O[C@@H](n4ccc(=O)[nH]c4=O)[C@H]3OC)O[C@@H](n3ccc(N)nc3=O)[C@H]2F)O[C@H]1n1ccc(N)nc1=O
• InChI: InChI=1S/C102H127F5N40O62P10S2/c1-175-70-65(35(15-148)190-92(70)140-13-9-47(149)132-101(140)155)209-219(174,221)188-23-40-64(53(107)91(195-40)147-34-129-59-84(147)135-98(115)137-86(59)152)208-218(173,220)189-24-44-69(74(179-5)96(199-44)145-32-127-57-78(113)119-28-123-82(57)145)207-217(171,172)184-19-39-63(52(106)90(194-39)146-33-128-58-83(146)134-97(114)136-85(58)151)203-213(163,164)187-22-43-68(73(178-4)95(198-43)144-31-126-56-77(112)118-27-122-81(56)144)206-216(169,170)183-18-38-62(51(105)89(193-38)143-30-125-55-76(111)117-26-121-80(55)143)202-212(161,162)186-21-42-67(72(177-3)94(197-42)141-14-10-48(150)133-102(141)156)205-215(167,168)182-17-37-61(49(103)87(191-37)138-11-7-45(108)130-99(138)153)201-211(159,160)185-20-41-66(71(176-2)93(196-41)139-12-8-46(109)131-100(139)154)204-214(165,166)181-16-36-60(200-210(157,158)180-6)50(104)88(192-36)142-29-124-54-75(110)116-25-120-79(54)142/h7-14,25-44,49-53,60-74,87-96,148H,15-24H2,1-6H3,(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H,173,220)(H,174,221)(H2,108,130,153)(H2,109,131,154)(H2,110,116,120)(H2,111,117,121)(H2,112,118,122)(H2,113,119,123)(H,132,149,155)(H,133,150,156)(H3,114,134,136,151)(H3,115,135,137,152)/p-10/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,49+,50+,51+,52+,53+,60?,61?,62?,63?,64?,65?,66?,67?,68?,69?,70+,71+,72+,73+,74+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,218?,219?/m1/s1
• InChIKey: PHWNKNYCZHJYSW-CVJYZKSXSA-D
• XLogP: -9.75
• TPSA: 1393.65 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 100
• Rotatable Bonds: 64
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3364.14
LogP ≤ 5	-9.75
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	100

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl phosphate?

The IUPAC name of [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl phosphate (CID 171771623) is [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl phosphate.

What is the SMILES notation for [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl phosphate?

The canonical SMILES for [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl phosphate is CO[C@H]1C(OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](F)C2OP(=O)([O-])OC)[C@@H](COP(=O)([O-])OC2[C@@H](COP(=O)([O-])OC3[C@@H](COP(=O)([O-])OC4[C@@H](COP(=O)([O-])OC5[C@@H](COP(=O)([O-])OC6[C@@H](COP(=O)([O-])OC7[C@@H](COP([O-])(=S)OC8[C@@H](COP(=O)([S-])OC9[C@@H](CO)O[C@@H](n%10ccc(=O)[nH]c%10=O)[C@H]9OC)O[C@@H](n9cnc%10c(=O)[nH]c(N)nc%109)[C@H]8F)O[C@@H](n8cnc9c(N)ncnc98)[C@H]7OC)O[C@@H](n7cnc8c(=O)[nH]c(N)nc87)[C@H]6F)O[C@@H](n6cnc7c(N)ncnc76)[C@H]5OC)O[C@@H](n5cnc6c(N)ncnc65)[C@H]4F)O[C@@H](n4ccc(=O)[nH]c4=O)[C@H]3OC)O[C@@H](n3ccc(N)nc3=O)[C@H]2F)O[C@H]1n1ccc(N)nc1=O.

What is the InChIKey of [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl phosphate?

The InChIKey is PHWNKNYCZHJYSW-CVJYZKSXSA-D. The full InChI is InChI=1S/C102H127F5N40O62P10S2/c1-175-70-65(35(15-148)190-92(70)140-13-9-47(149)132-101(140)155)209-219(174,221)188-23-40-64(53(107)91(195-40)147-34-129-59-84(147)135-98(115)137-86(59)152)208-218(173,220)189-24-44-69(74(179-5)96(199-44)145-32-127-57-78(113)119-28-123-82(57)145)207-217(171,172)184-19-39-63(52(106)90(194-39)146-33-128-58-83(146)134-97(114)136-85(58)151)203-213(163,164)187-22-43-68(73(178-4)95(198-43)144-31-126-56-77(112)118-27-122-81(56)144)206-216(169,170)183-18-38-62(51(105)89(193-38)143-30-125-55-76(111)117-26-121-80(55)143)202-212(161,162)186-21-42-67(72(177-3)94(197-42)141-14-10-48(150)133-102(141)156)205-215(167,168)182-17-37-61(49(103)87(191-37)138-11-7-45(108)130-99(138)153)201-211(159,160)185-20-41-66(71(176-2)93(196-41)139-12-8-46(109)131-100(139)154)204-214(165,166)181-16-36-60(200-210(157,158)180-6)50(104)88(192-36)142-29-124-54-75(110)116-25-120-79(54)142/h7-14,25-44,49-53,60-74,87-96,148H,15-24H2,1-6H3,(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H,173,220)(H,174,221)(H2,108,130,153)(H2,109,131,154)(H2,110,116,120)(H2,111,117,121)(H2,112,118,122)(H2,113,119,123)(H,132,149,155)(H,133,150,156)(H3,114,134,136,151)(H3,115,135,137,152)/p-10/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,49+,50+,51+,52+,53+,60?,61?,62?,63?,64?,65?,66?,67?,68?,69?,70+,71+,72+,73+,74+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,218?,219?/m1/s1.

What are the key properties of [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl phosphate?

[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl phosphate has a molecular weight of 3364.14 g/mol, XLogP of -9.75, 64 rotatable bonds, 13 hydrogen bond donors, and 100 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl] [(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl phosphate is sourced from PubChem (CID 171771623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).