5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-12-hydroxy-3,12-dioxo-8-(7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3-sulfanyl-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,6R,8R,9S,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-triazolo[4,5-d]pyrimidin-7-one

C56H59F6N31O32P6S4 — CID 165095200

About 5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-12-hydroxy-3,12-dioxo-8-(7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3-sulfanyl-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,6R,8R,9S,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-triazolo[4,5-d]pyrimidin-7-one

5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-12-hydroxy-3,12-dioxo-8-(7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3-sulfanyl-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,6R,8R,9S,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-triazolo[4,5-d]pyrimidin-7-one (PubChem CID 165095200) has the molecular formula C56H59F6N31O32P6S4 and a molecular weight of 2106.37 g/mol. Its IUPAC name is 5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-12-hydroxy-3,12-dioxo-8-(7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3-sulfanyl-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,6R,8R,9S,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-12-hydroxy-3,12-dioxo-8-(7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3-sulfanyl-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,6R,8R,9S,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
• PubChem CID: 165095200
• Molecular Formula: C56H59F6N31O32P6S4
• Molecular Weight: 2106.37 g/mol
• Exact Mass: 2105.12
• IUPAC Name: 5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-12-hydroxy-3,12-dioxo-8-(7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3-sulfanyl-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,6R,8R,9S,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
• SMILES: Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H](F)[C@H](n5nnc6c(=O)[nH]cnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@@H]3F)c(=O)[nH]1.Nc1nc2c(nnn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H](F)[C@H](n5nnc6c(=O)[nH]cnc65)O[C@@H]4COP(=O)(S)O[C@@H]2[C@@H]3F)c(=O)[nH]1.Nc1nc2c(nnn2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@H](F)[C@H](n5cnc6c(=O)[nH]cnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@H]3F)c(=O)[nH]1
• InChI: InChI=1S/C19H20F2N10O11P2S.C19H20F2N10O10P2S2.C18H19F2N11O11P2S/c20-7-5-1-37-43(34,35)41-11-6(40-17(8(11)21)31-13-10(28-29-31)15(32)24-3-23-13)2-38-44(36,45)42-12(7)18(39-5)30-4-25-9-14(30)26-19(22)27-16(9)33;20-7-5-1-36-42(34,44)40-11-6(39-17(8(11)21)30-4-25-9-13(30)23-3-24-15(9)32)2-37-43(35,45)41-12(7)18(38-5)31-14-10(28-29-31)16(33)27-19(22)26-14;19-6-4-1-37-43(34,35)41-10-5(40-16(7(10)20)30-12-8(26-28-30)14(32)23-3-22-12)2-38-44(36,45)42-11(6)17(39-4)31-13-9(27-29-31)15(33)25-18(21)24-13/h3-8,11-12,17-18H,1-2H2,(H,34,35)(H,36,45)(H,23,24,32)(H3,22,26,27,33);3-8,11-12,17-18H,1-2H2,(H,34,44)(H,35,45)(H,23,24,32)(H3,22,26,27,33);3-7,10-11,16-17H,1-2H2,(H,34,35)(H,36,45)(H,22,23,32)(H3,21,24,25,33)/t5-,6-,7-,8+,11-,12-,17-,18-,44?;5-,6-,7+,8+,11-,12-,17-,18-,42?,43?;4-,5-,6-,7+,10-,11-,16-,17-,44?/m111/s1
• InChIKey: XJPACLUKZQUSMS-SPNXMKGZSA-N
• XLogP: -3.16
• TPSA: 829.54 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 55
• Rotatable Bonds: 6
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2106.37
LogP ≤ 5	-3.16
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	55

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 5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-12-hydroxy-3,12-dioxo-8-(7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3-sulfanyl-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,6R,8R,9S,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-triazolo[4,5-d]pyrimidin-7-one?

The IUPAC name of 5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-12-hydroxy-3,12-dioxo-8-(7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3-sulfanyl-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,6R,8R,9S,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-triazolo[4,5-d]pyrimidin-7-one (CID 165095200) is 5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-12-hydroxy-3,12-dioxo-8-(7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3-sulfanyl-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,6R,8R,9S,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-triazolo[4,5-d]pyrimidin-7-one.

What is the SMILES notation for 5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-12-hydroxy-3,12-dioxo-8-(7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3-sulfanyl-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,6R,8R,9S,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-triazolo[4,5-d]pyrimidin-7-one?

The canonical SMILES for 5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-12-hydroxy-3,12-dioxo-8-(7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3-sulfanyl-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,6R,8R,9S,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-triazolo[4,5-d]pyrimidin-7-one is Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H](F)[C@H](n5nnc6c(=O)[nH]cnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@@H]3F)c(=O)[nH]1.Nc1nc2c(nnn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H](F)[C@H](n5nnc6c(=O)[nH]cnc65)O[C@@H]4COP(=O)(S)O[C@@H]2[C@@H]3F)c(=O)[nH]1.Nc1nc2c(nnn2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@H](F)[C@H](n5cnc6c(=O)[nH]cnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@H]3F)c(=O)[nH]1.

What is the InChIKey of 5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-12-hydroxy-3,12-dioxo-8-(7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3-sulfanyl-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,6R,8R,9S,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-triazolo[4,5-d]pyrimidin-7-one?

The InChIKey is XJPACLUKZQUSMS-SPNXMKGZSA-N. The full InChI is InChI=1S/C19H20F2N10O11P2S.C19H20F2N10O10P2S2.C18H19F2N11O11P2S/c20-7-5-1-37-43(34,35)41-11-6(40-17(8(11)21)31-13-10(28-29-31)15(32)24-3-23-13)2-38-44(36,45)42-12(7)18(39-5)30-4-25-9-14(30)26-19(22)27-16(9)33;20-7-5-1-36-42(34,44)40-11-6(39-17(8(11)21)30-4-25-9-13(30)23-3-24-15(9)32)2-37-43(35,45)41-12(7)18(38-5)31-14-10(28-29-31)16(33)27-19(22)26-14;19-6-4-1-37-43(34,35)41-10-5(40-16(7(10)20)30-12-8(26-28-30)14(32)23-3-22-12)2-38-44(36,45)42-11(6)17(39-4)31-13-9(27-29-31)15(33)25-18(21)24-13/h3-8,11-12,17-18H,1-2H2,(H,34,35)(H,36,45)(H,23,24,32)(H3,22,26,27,33);3-8,11-12,17-18H,1-2H2,(H,34,44)(H,35,45)(H,23,24,32)(H3,22,26,27,33);3-7,10-11,16-17H,1-2H2,(H,34,35)(H,36,45)(H,22,23,32)(H3,21,24,25,33)/t5-,6-,7-,8+,11-,12-,17-,18-,44?;5-,6-,7+,8+,11-,12-,17-,18-,42?,43?;4-,5-,6-,7+,10-,11-,16-,17-,44?/m111/s1.

What are the key properties of 5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-12-hydroxy-3,12-dioxo-8-(7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3-sulfanyl-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,6R,8R,9S,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-triazolo[4,5-d]pyrimidin-7-one?

5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-12-hydroxy-3,12-dioxo-8-(7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3-sulfanyl-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,6R,8R,9S,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 2106.37 g/mol, XLogP of -3.16, 6 rotatable bonds, 15 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-12-hydroxy-3,12-dioxo-8-(7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3-sulfanyl-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,6R,8R,9S,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 165095200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).