1-[(1S,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-18-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]benzotriazole-4-carboxamide;1-[(1R,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one;(1R,6S,8R,9R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-18-ol;1-[(1R,6S,8R,9R,15R,17R,18R)-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one

C90H103FN38O35P8S8 — CID 158123147

About 1-[(1S,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-18-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]benzotriazole-4-carboxamide;1-[(1R,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one;(1R,6S,8R,9R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-18-ol;1-[(1R,6S,8R,9R,15R,17R,18R)-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one

1-[(1S,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-18-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]benzotriazole-4-carboxamide;1-[(1R,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one;(1R,6S,8R,9R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-18-ol;1-[(1R,6S,8R,9R,15R,17R,18R)-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one (PubChem CID 158123147) has the molecular formula C90H103FN38O35P8S8 and a molecular weight of 2800.37 g/mol. Its IUPAC name is 1-[(1S,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-18-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]benzotriazole-4-carboxamide;1-[(1R,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one;(1R,6S,8R,9R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-18-ol;1-[(1R,6S,8R,9R,15R,17R,18R)-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one.

Molecular Properties

• Compound Name: 1-[(1S,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-18-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]benzotriazole-4-carboxamide;1-[(1R,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one;(1R,6S,8R,9R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-18-ol;1-[(1R,6S,8R,9R,15R,17R,18R)-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one
• PubChem CID: 158123147
• Molecular Formula: C90H103FN38O35P8S8
• Molecular Weight: 2800.37 g/mol
• Exact Mass: 2798.31
• IUPAC Name: 1-[(1S,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-18-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]benzotriazole-4-carboxamide;1-[(1R,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one;(1R,6S,8R,9R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-18-ol;1-[(1R,6S,8R,9R,15R,17R,18R)-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one
• SMILES: NC(=O)c1cccc2c1nnn2[C@@H]1O[C@@H]2COP(O)(=S)OC[C@@H]3[C@@H](COP(=O)(S)O[C@@H]1[C@@H]2F)C[C@H]3n1cnc2c(N)ncnc21.Nc1ncnc2c1ncn2[C@@H]1C[C@@H]2COP(O)(=S)O[C@@H]3[C@H](O)[C@@H](COP(O)(=S)OC[C@H]21)O[C@H]3n1cnc2c(=O)[nH]c3nccn3c21.Nc1ncnc2c1ncn2[C@@H]1C[C@@H]2COP(O)(=S)O[C@@H]3[C@H](O)[C@@H](COP(O)(=S)OC[C@H]21)O[C@H]3n1cnc2c(N)ncnc21.O=c1[nH]cnc2c1ncn2[C@@H]1C[C@@H]2COP(O)(=S)O[C@@H]3[C@H](O)[C@@H](COP(O)(=S)OC[C@H]21)O[C@H]3n1cnc2c(=O)[nH]c3nccn3c21
• InChI: InChI=1S/C23H26FN9O8P2S2.C23H26N10O9P2S2.C23H25N9O10P2S2.C21H26N10O8P2S2/c24-16-15-7-39-42(35,44)38-6-12-10(4-14(12)32-9-29-18-20(25)27-8-28-22(18)32)5-37-43(36,45)41-19(16)23(40-15)33-13-3-1-2-11(21(26)34)17(13)30-31-33;24-18-14-19(27-7-26-18)32(8-28-14)12-3-10-4-38-44(37,46)42-17-16(34)13(6-40-43(36,45)39-5-11(10)12)41-22(17)33-9-29-15-20(35)30-23-25-1-2-31(23)21(15)33;33-16-13-6-40-43(36,45)39-5-11-10(3-12(11)31-8-27-14-18(31)25-7-26-19(14)34)4-38-44(37,46)42-17(16)22(41-13)32-9-28-15-20(35)29-23-24-1-2-30(23)21(15)32;22-17-13-19(26-5-24-17)30(7-28-13)11-1-9-2-35-41(34,43)39-16-15(32)12(4-37-40(33,42)36-3-10(9)11)38-21(16)31-8-29-14-18(23)25-6-27-20(14)31/h1-3,8-10,12,14-16,19,23H,4-7H2,(H2,26,34)(H,35,44)(H,36,45)(H2,25,27,28);1-2,7-13,16-17,22,34H,3-6H2,(H,36,45)(H,37,46)(H2,24,26,27)(H,25,30,35);1-2,7-13,16-17,22,33H,3-6H2,(H,36,45)(H,37,46)(H,24,29,35)(H,25,26,34);5-12,15-16,21,32H,1-4H2,(H,33,42)(H,34,43)(H2,22,24,26)(H2,23,25,27)/t10-,12-,14-,15-,16-,19-,23-,42?,43?;2*10-,11-,12-,13-,16-,17-,22-,43?,44?;9-,10-,11-,12-,15-,16-,21-,40?,41?/m1111/s1
• InChIKey: FRVNEVIPHUHKOM-IXQOSQDUSA-N
• XLogP: 2.15
• TPSA: 955.78 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 69
• Rotatable Bonds: 9
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2800.37
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	69

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 1-[(1S,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-18-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]benzotriazole-4-carboxamide;1-[(1R,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one;(1R,6S,8R,9R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-18-ol;1-[(1R,6S,8R,9R,15R,17R,18R)-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one?

The IUPAC name of 1-[(1S,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-18-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]benzotriazole-4-carboxamide;1-[(1R,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one;(1R,6S,8R,9R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-18-ol;1-[(1R,6S,8R,9R,15R,17R,18R)-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one (CID 158123147) is 1-[(1S,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-18-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]benzotriazole-4-carboxamide;1-[(1R,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one;(1R,6S,8R,9R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-18-ol;1-[(1R,6S,8R,9R,15R,17R,18R)-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one.

What is the SMILES notation for 1-[(1S,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-18-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]benzotriazole-4-carboxamide;1-[(1R,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one;(1R,6S,8R,9R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-18-ol;1-[(1R,6S,8R,9R,15R,17R,18R)-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one?

The canonical SMILES for 1-[(1S,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-18-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]benzotriazole-4-carboxamide;1-[(1R,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one;(1R,6S,8R,9R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-18-ol;1-[(1R,6S,8R,9R,15R,17R,18R)-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one is NC(=O)c1cccc2c1nnn2[C@@H]1O[C@@H]2COP(O)(=S)OC[C@@H]3[C@@H](COP(=O)(S)O[C@@H]1[C@@H]2F)C[C@H]3n1cnc2c(N)ncnc21.Nc1ncnc2c1ncn2[C@@H]1C[C@@H]2COP(O)(=S)O[C@@H]3[C@H](O)[C@@H](COP(O)(=S)OC[C@H]21)O[C@H]3n1cnc2c(=O)[nH]c3nccn3c21.Nc1ncnc2c1ncn2[C@@H]1C[C@@H]2COP(O)(=S)O[C@@H]3[C@H](O)[C@@H](COP(O)(=S)OC[C@H]21)O[C@H]3n1cnc2c(N)ncnc21.O=c1[nH]cnc2c1ncn2[C@@H]1C[C@@H]2COP(O)(=S)O[C@@H]3[C@H](O)[C@@H](COP(O)(=S)OC[C@H]21)O[C@H]3n1cnc2c(=O)[nH]c3nccn3c21.

What is the InChIKey of 1-[(1S,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-18-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]benzotriazole-4-carboxamide;1-[(1R,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one;(1R,6S,8R,9R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-18-ol;1-[(1R,6S,8R,9R,15R,17R,18R)-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one?

The InChIKey is FRVNEVIPHUHKOM-IXQOSQDUSA-N. The full InChI is InChI=1S/C23H26FN9O8P2S2.C23H26N10O9P2S2.C23H25N9O10P2S2.C21H26N10O8P2S2/c24-16-15-7-39-42(35,44)38-6-12-10(4-14(12)32-9-29-18-20(25)27-8-28-22(18)32)5-37-43(36,45)41-19(16)23(40-15)33-13-3-1-2-11(21(26)34)17(13)30-31-33;24-18-14-19(27-7-26-18)32(8-28-14)12-3-10-4-38-44(37,46)42-17-16(34)13(6-40-43(36,45)39-5-11(10)12)41-22(17)33-9-29-15-20(35)30-23-25-1-2-31(23)21(15)33;33-16-13-6-40-43(36,45)39-5-11-10(3-12(11)31-8-27-14-18(31)25-7-26-19(14)34)4-38-44(37,46)42-17(16)22(41-13)32-9-28-15-20(35)29-23-24-1-2-30(23)21(15)32;22-17-13-19(26-5-24-17)30(7-28-13)11-1-9-2-35-41(34,43)39-16-15(32)12(4-37-40(33,42)36-3-10(9)11)38-21(16)31-8-29-14-18(23)25-6-27-20(14)31/h1-3,8-10,12,14-16,19,23H,4-7H2,(H2,26,34)(H,35,44)(H,36,45)(H2,25,27,28);1-2,7-13,16-17,22,34H,3-6H2,(H,36,45)(H,37,46)(H2,24,26,27)(H,25,30,35);1-2,7-13,16-17,22,33H,3-6H2,(H,36,45)(H,37,46)(H,24,29,35)(H,25,26,34);5-12,15-16,21,32H,1-4H2,(H,33,42)(H,34,43)(H2,22,24,26)(H2,23,25,27)/t10-,12-,14-,15-,16-,19-,23-,42?,43?;2*10-,11-,12-,13-,16-,17-,22-,43?,44?;9-,10-,11-,12-,15-,16-,21-,40?,41?/m1111/s1.

What are the key properties of 1-[(1S,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-18-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]benzotriazole-4-carboxamide;1-[(1R,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one;(1R,6S,8R,9R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-18-ol;1-[(1R,6S,8R,9R,15R,17R,18R)-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one?

1-[(1S,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-18-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]benzotriazole-4-carboxamide;1-[(1R,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one;(1R,6S,8R,9R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-18-ol;1-[(1R,6S,8R,9R,15R,17R,18R)-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one has a molecular weight of 2800.37 g/mol, XLogP of 2.15, 9 rotatable bonds, 19 hydrogen bond donors, and 69 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-18-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]benzotriazole-4-carboxamide;1-[(1R,6S,8R,9R,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one;(1R,6S,8R,9R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-18-ol;1-[(1R,6S,8R,9R,15R,17R,18R)-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,9]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one is sourced from PubChem (CID 158123147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).