[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1S,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-ethyl-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(6-aminopurin-9-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl] [(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[[(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[hydroxy(methoxy)phosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate

C105H135N31O41P8S5 — CID 118880994

About [(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1S,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-ethyl-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(6-aminopurin-9-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl] [(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[[(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[hydroxy(methoxy)phosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate

[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1S,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-ethyl-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(6-aminopurin-9-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl] [(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[[(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[hydroxy(methoxy)phosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate (PubChem CID 118880994) has the molecular formula C105H135N31O41P8S5 and a molecular weight of 2895.54 g/mol. Its IUPAC name is [(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1S,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-ethyl-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(6-aminopurin-9-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl] [(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[[(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[hydroxy(methoxy)phosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate.

Molecular Properties

• Compound Name: [(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1S,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-ethyl-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(6-aminopurin-9-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl] [(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[[(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[hydroxy(methoxy)phosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate
• PubChem CID: 118880994
• Molecular Formula: C105H135N31O41P8S5
• Molecular Weight: 2895.54 g/mol
• Exact Mass: 2893.59
• IUPAC Name: [(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1S,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-ethyl-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(6-aminopurin-9-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl] [(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[[(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[hydroxy(methoxy)phosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate
• SMILES: CC[C@]12O[C@@H](n3cnc4c(=O)[nH]c(N)cc43)C(C[C@H]1C)[C@H]2OP(O)(=S)OC[C@]12O[C@@H](n3ccc(N)nc3=O)C(C[C@H]1C)[C@H]2OP(=O)(S)OC[C@]12O[C@@H](n3ccc(=O)[nH]c3=O)C(C[C@H]1C)[C@H]2OP(O)(=S)OC[C@]12O[C@@H](n3cnc4c(=O)[nH]c(N)cc43)C(C[C@H]1C)[C@H]2OP(O)(=S)OC[C@]12O[C@@H](n3ccc(N)nc3=O)C(C[C@H]1C)[C@H]2OP(O)(=S)OC[C@]12O[C@@H](n3cnc4c(N)ncnc43)C(C[C@H]1C)[C@H]2OP(=O)(O)OC[C@]12O[C@@H](n3cnc4c(N)ncnc43)C(C[C@H]1C)[C@H]2OP(=O)(O)OC[C@]12O[C@@H](n3cnc4c(N)ncnc43)C(C[C@H]1C)[C@H]2OP(=O)(O)OC
• InChI: InChI=1S/C105H135N31O41P8S5/c1-11-98-43(2)18-51(90(162-98)132-38-119-66-59(132)26-63(108)124-85(66)138)71(98)173-181(149,186)158-31-102-47(6)22-55(87(163-102)129-15-12-61(106)126-95(129)140)75(102)175-183(151,188)159-33-104-49(8)24-57(89(165-104)131-17-14-65(137)128-97(131)142)77(104)176-184(152,189)161-34-105-50(9)25-58(91(166-105)133-39-120-67-60(133)27-64(109)125-86(67)139)78(105)177-185(153,190)160-32-103-48(7)23-56(88(164-103)130-16-13-62(107)127-96(130)141)76(103)174-182(150,187)157-30-101-46(5)21-54(94(169-101)136-42-123-70-81(112)115-37-118-84(70)136)74(101)172-180(147,148)156-29-100-45(4)20-53(93(168-100)135-41-122-69-80(111)114-36-117-83(69)135)73(100)171-179(145,146)155-28-99-44(3)19-52(72(99)170-178(143,144)154-10)92(167-99)134-40-121-68-79(110)113-35-116-82(68)134/h12-17,26-27,35-58,71-78,87-94H,11,18-25,28-34H2,1-10H3,(H,143,144)(H,145,146)(H,147,148)(H,149,186)(H,150,187)(H,151,188)(H,152,189)(H,153,190)(H2,106,126,140)(H2,107,127,141)(H3,108,124,138)(H3,109,125,139)(H2,110,113,116)(H2,111,114,117)(H2,112,115,118)(H,128,137,142)/t43-,44-,45-,46-,47-,48-,49-,50-,51?,52?,53?,54?,55?,56?,57?,58?,71-,72-,73-,74-,75-,76-,77-,78-,87-,88-,89-,90-,91-,92-,93-,94-,98+,99+,100+,101+,102+,103+,104+,105+,181?,182?,183?,184?,185?/m1/s1
• InChIKey: YVUGVUUIHYLGES-JXSFTFTNSA-N
• XLogP: 6.97
• TPSA: 970.35 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 66
• Rotatable Bonds: 47
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2895.54
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	66

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1S,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-ethyl-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(6-aminopurin-9-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl] [(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[[(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[hydroxy(methoxy)phosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate?

The IUPAC name of [(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1S,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-ethyl-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(6-aminopurin-9-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl] [(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[[(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[hydroxy(methoxy)phosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate (CID 118880994) is [(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1S,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-ethyl-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(6-aminopurin-9-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl] [(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[[(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[hydroxy(methoxy)phosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate.

What is the SMILES notation for [(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1S,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-ethyl-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(6-aminopurin-9-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl] [(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[[(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[hydroxy(methoxy)phosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate?

The canonical SMILES for [(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1S,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-ethyl-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(6-aminopurin-9-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl] [(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[[(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[hydroxy(methoxy)phosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate is CC[C@]12O[C@@H](n3cnc4c(=O)[nH]c(N)cc43)C(C[C@H]1C)[C@H]2OP(O)(=S)OC[C@]12O[C@@H](n3ccc(N)nc3=O)C(C[C@H]1C)[C@H]2OP(=O)(S)OC[C@]12O[C@@H](n3ccc(=O)[nH]c3=O)C(C[C@H]1C)[C@H]2OP(O)(=S)OC[C@]12O[C@@H](n3cnc4c(=O)[nH]c(N)cc43)C(C[C@H]1C)[C@H]2OP(O)(=S)OC[C@]12O[C@@H](n3ccc(N)nc3=O)C(C[C@H]1C)[C@H]2OP(O)(=S)OC[C@]12O[C@@H](n3cnc4c(N)ncnc43)C(C[C@H]1C)[C@H]2OP(=O)(O)OC[C@]12O[C@@H](n3cnc4c(N)ncnc43)C(C[C@H]1C)[C@H]2OP(=O)(O)OC[C@]12O[C@@H](n3cnc4c(N)ncnc43)C(C[C@H]1C)[C@H]2OP(=O)(O)OC.

What is the InChIKey of [(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1S,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-ethyl-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(6-aminopurin-9-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl] [(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[[(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[hydroxy(methoxy)phosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate?

The InChIKey is YVUGVUUIHYLGES-JXSFTFTNSA-N. The full InChI is InChI=1S/C105H135N31O41P8S5/c1-11-98-43(2)18-51(90(162-98)132-38-119-66-59(132)26-63(108)124-85(66)138)71(98)173-181(149,186)158-31-102-47(6)22-55(87(163-102)129-15-12-61(106)126-95(129)140)75(102)175-183(151,188)159-33-104-49(8)24-57(89(165-104)131-17-14-65(137)128-97(131)142)77(104)176-184(152,189)161-34-105-50(9)25-58(91(166-105)133-39-120-67-60(133)27-64(109)125-86(67)139)78(105)177-185(153,190)160-32-103-48(7)23-56(88(164-103)130-16-13-62(107)127-96(130)141)76(103)174-182(150,187)157-30-101-46(5)21-54(94(169-101)136-42-123-70-81(112)115-37-118-84(70)136)74(101)172-180(147,148)156-29-100-45(4)20-53(93(168-100)135-41-122-69-80(111)114-36-117-83(69)135)73(100)171-179(145,146)155-28-99-44(3)19-52(72(99)170-178(143,144)154-10)92(167-99)134-40-121-68-79(110)113-35-116-82(68)134/h12-17,26-27,35-58,71-78,87-94H,11,18-25,28-34H2,1-10H3,(H,143,144)(H,145,146)(H,147,148)(H,149,186)(H,150,187)(H,151,188)(H,152,189)(H,153,190)(H2,106,126,140)(H2,107,127,141)(H3,108,124,138)(H3,109,125,139)(H2,110,113,116)(H2,111,114,117)(H2,112,115,118)(H,128,137,142)/t43-,44-,45-,46-,47-,48-,49-,50-,51?,52?,53?,54?,55?,56?,57?,58?,71-,72-,73-,74-,75-,76-,77-,78-,87-,88-,89-,90-,91-,92-,93-,94-,98+,99+,100+,101+,102+,103+,104+,105+,181?,182?,183?,184?,185?/m1/s1.

What are the key properties of [(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1S,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-ethyl-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(6-aminopurin-9-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl] [(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[[(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[hydroxy(methoxy)phosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate?

[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1S,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-ethyl-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(6-aminopurin-9-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl] [(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[[(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[hydroxy(methoxy)phosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate has a molecular weight of 2895.54 g/mol, XLogP of 6.97, 47 rotatable bonds, 18 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-[[[(1R,3R,6R,7R)-1-[[[(1R,3R,6R,7R)-1-[[[(1S,3R,6R,7R)-3-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-1-ethyl-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(6-aminopurin-9-yl)-6-methyl-2-oxabicyclo[2.2.1]heptan-7-yl] [(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[[(1R,3R,6R,7R)-3-(6-aminopurin-9-yl)-7-[hydroxy(methoxy)phosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-6-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate is sourced from PubChem (CID 118880994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).