9-[8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-(hydroxymethyl)-3,3,12-trioxo-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[8-(6-aminopurin-9-yl)-9-fluoro-18-(hydroxymethyl)-3,3,12-trioxo-12-sulfanyl-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[19-(6-aminopurin-9-yl)-4-hydroxy-20-(hydroxymethyl)-12,12-dioxo-4-sulfanylidene-3,5,8,13,16,18-hexaoxa-12λ6-thia-4λ5-phosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-2-methyl-1H-purin-6-one;9-(3,9-dihydroxy-18-methyl-3,12,12-trioxo-8-purin-9-yl-2,4,7,11,16-pentaoxa-12λ6-thia-3λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl)-2-methyl-1H-purin-6-one

C91H107F2N37O43P4S6 — CID 161321143

About 9-[8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-(hydroxymethyl)-3,3,12-trioxo-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[8-(6-aminopurin-9-yl)-9-fluoro-18-(hydroxymethyl)-3,3,12-trioxo-12-sulfanyl-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[19-(6-aminopurin-9-yl)-4-hydroxy-20-(hydroxymethyl)-12,12-dioxo-4-sulfanylidene-3,5,8,13,16,18-hexaoxa-12λ6-thia-4λ5-phosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-2-methyl-1H-purin-6-one;9-(3,9-dihydroxy-18-methyl-3,12,12-trioxo-8-purin-9-yl-2,4,7,11,16-pentaoxa-12λ6-thia-3λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl)-2-methyl-1H-purin-6-one

9-[8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-(hydroxymethyl)-3,3,12-trioxo-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[8-(6-aminopurin-9-yl)-9-fluoro-18-(hydroxymethyl)-3,3,12-trioxo-12-sulfanyl-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[19-(6-aminopurin-9-yl)-4-hydroxy-20-(hydroxymethyl)-12,12-dioxo-4-sulfanylidene-3,5,8,13,16,18-hexaoxa-12λ6-thia-4λ5-phosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-2-methyl-1H-purin-6-one;9-(3,9-dihydroxy-18-methyl-3,12,12-trioxo-8-purin-9-yl-2,4,7,11,16-pentaoxa-12λ6-thia-3λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl)-2-methyl-1H-purin-6-one (PubChem CID 161321143) has the molecular formula C91H107F2N37O43P4S6 and a molecular weight of 2761.37 g/mol. Its IUPAC name is 9-[8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-(hydroxymethyl)-3,3,12-trioxo-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[8-(6-aminopurin-9-yl)-9-fluoro-18-(hydroxymethyl)-3,3,12-trioxo-12-sulfanyl-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[19-(6-aminopurin-9-yl)-4-hydroxy-20-(hydroxymethyl)-12,12-dioxo-4-sulfanylidene-3,5,8,13,16,18-hexaoxa-12λ6-thia-4λ5-phosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-2-methyl-1H-purin-6-one;9-(3,9-dihydroxy-18-methyl-3,12,12-trioxo-8-purin-9-yl-2,4,7,11,16-pentaoxa-12λ6-thia-3λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl)-2-methyl-1H-purin-6-one.

Molecular Properties

• Compound Name: 9-[8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-(hydroxymethyl)-3,3,12-trioxo-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[8-(6-aminopurin-9-yl)-9-fluoro-18-(hydroxymethyl)-3,3,12-trioxo-12-sulfanyl-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[19-(6-aminopurin-9-yl)-4-hydroxy-20-(hydroxymethyl)-12,12-dioxo-4-sulfanylidene-3,5,8,13,16,18-hexaoxa-12λ6-thia-4λ5-phosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-2-methyl-1H-purin-6-one;9-(3,9-dihydroxy-18-methyl-3,12,12-trioxo-8-purin-9-yl-2,4,7,11,16-pentaoxa-12λ6-thia-3λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl)-2-methyl-1H-purin-6-one
• PubChem CID: 161321143
• Molecular Formula: C91H107F2N37O43P4S6
• Molecular Weight: 2761.37 g/mol
• Exact Mass: 2759.46
• IUPAC Name: 9-[8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-(hydroxymethyl)-3,3,12-trioxo-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[8-(6-aminopurin-9-yl)-9-fluoro-18-(hydroxymethyl)-3,3,12-trioxo-12-sulfanyl-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[19-(6-aminopurin-9-yl)-4-hydroxy-20-(hydroxymethyl)-12,12-dioxo-4-sulfanylidene-3,5,8,13,16,18-hexaoxa-12λ6-thia-4λ5-phosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-2-methyl-1H-purin-6-one;9-(3,9-dihydroxy-18-methyl-3,12,12-trioxo-8-purin-9-yl-2,4,7,11,16-pentaoxa-12λ6-thia-3λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl)-2-methyl-1H-purin-6-one
• SMILES: Cc1nc2c(ncn2C2OC3CCS(=O)(=O)OC4C(COP(=O)(O)OC2C3C)OC(n2cnc3cncnc32)C4O)c(=O)[nH]1.Cc1nc2c(ncn2C2OC3CCS(=O)(=O)OC4C5OCC4(COP(O)(=S)OC2C3CO)OC5n2cnc3c(N)ncnc32)c(=O)[nH]1.Cc1nc2c(ncn2C2OC3COP(=O)(O)OC4C(CNS(=O)(=O)OC2C3CO)OC(n2cnc3c(N)ncnc32)C4F)c(=O)[nH]1.Cc1nc2c(ncn2C2OC3COP(=O)(S)OC4C(CNS(=O)(=O)OC2C3CO)OC(n2cnc3c(N)ncnc32)C4F)c(=O)[nH]1
• InChI: InChI=1S/C24H28N9O11PS2.C23H27N8O11PS.C22H26FN10O11PS.C22H26FN10O10PS2/c1-10-30-20-14(21(35)31-10)29-9-33(20)22-15-11(4-34)12(41-22)2-3-47(37,38)44-17-16-23(32-8-28-13-18(25)26-7-27-19(13)32)42-24(17,5-39-16)6-40-45(36,46)43-15;1-10-13-3-4-44(36,37)42-18-14(40-22(16(18)32)30-8-26-12-5-24-7-25-19(12)30)6-38-43(34,35)41-17(10)23(39-13)31-9-27-15-20(31)28-11(2)29-21(15)33;1-8-30-19-14(20(35)31-8)28-7-33(19)22-15-9(3-34)11(42-22)4-40-45(36,37)43-16-10(2-29-46(38,39)44-15)41-21(12(16)23)32-6-27-13-17(24)25-5-26-18(13)32;1-8-30-19-14(20(35)31-8)28-7-33(19)22-15-9(3-34)11(41-22)4-39-44(36,45)42-16-10(2-29-46(37,38)43-15)40-21(12(16)23)32-6-27-13-17(24)25-5-26-18(13)32/h7-9,11-12,15-17,22-23,34H,2-6H2,1H3,(H,36,46)(H2,25,26,27)(H,30,31,35);5,7-10,13-14,16-18,22-23,32H,3-4,6H2,1-2H3,(H,34,35)(H,28,29,33);5-7,9-12,15-16,21-22,29,34H,2-4H2,1H3,(H,36,37)(H2,24,25,26)(H,30,31,35);5-7,9-12,15-16,21-22,29,34H,2-4H2,1H3,(H,36,45)(H2,24,25,26)(H,30,31,35)
• InChIKey: VKDVJYBEJOQTIA-UHFFFAOYSA-N
• XLogP: -3.97
• TPSA: 1054.01 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 72
• Rotatable Bonds: 11
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2761.37
LogP ≤ 5	-3.97
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	72

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-(hydroxymethyl)-3,3,12-trioxo-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[8-(6-aminopurin-9-yl)-9-fluoro-18-(hydroxymethyl)-3,3,12-trioxo-12-sulfanyl-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[19-(6-aminopurin-9-yl)-4-hydroxy-20-(hydroxymethyl)-12,12-dioxo-4-sulfanylidene-3,5,8,13,16,18-hexaoxa-12λ6-thia-4λ5-phosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-2-methyl-1H-purin-6-one;9-(3,9-dihydroxy-18-methyl-3,12,12-trioxo-8-purin-9-yl-2,4,7,11,16-pentaoxa-12λ6-thia-3λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl)-2-methyl-1H-purin-6-one?

The IUPAC name of 9-[8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-(hydroxymethyl)-3,3,12-trioxo-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[8-(6-aminopurin-9-yl)-9-fluoro-18-(hydroxymethyl)-3,3,12-trioxo-12-sulfanyl-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[19-(6-aminopurin-9-yl)-4-hydroxy-20-(hydroxymethyl)-12,12-dioxo-4-sulfanylidene-3,5,8,13,16,18-hexaoxa-12λ6-thia-4λ5-phosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-2-methyl-1H-purin-6-one;9-(3,9-dihydroxy-18-methyl-3,12,12-trioxo-8-purin-9-yl-2,4,7,11,16-pentaoxa-12λ6-thia-3λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl)-2-methyl-1H-purin-6-one (CID 161321143) is 9-[8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-(hydroxymethyl)-3,3,12-trioxo-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[8-(6-aminopurin-9-yl)-9-fluoro-18-(hydroxymethyl)-3,3,12-trioxo-12-sulfanyl-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[19-(6-aminopurin-9-yl)-4-hydroxy-20-(hydroxymethyl)-12,12-dioxo-4-sulfanylidene-3,5,8,13,16,18-hexaoxa-12λ6-thia-4λ5-phosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-2-methyl-1H-purin-6-one;9-(3,9-dihydroxy-18-methyl-3,12,12-trioxo-8-purin-9-yl-2,4,7,11,16-pentaoxa-12λ6-thia-3λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl)-2-methyl-1H-purin-6-one.

What is the SMILES notation for 9-[8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-(hydroxymethyl)-3,3,12-trioxo-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[8-(6-aminopurin-9-yl)-9-fluoro-18-(hydroxymethyl)-3,3,12-trioxo-12-sulfanyl-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[19-(6-aminopurin-9-yl)-4-hydroxy-20-(hydroxymethyl)-12,12-dioxo-4-sulfanylidene-3,5,8,13,16,18-hexaoxa-12λ6-thia-4λ5-phosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-2-methyl-1H-purin-6-one;9-(3,9-dihydroxy-18-methyl-3,12,12-trioxo-8-purin-9-yl-2,4,7,11,16-pentaoxa-12λ6-thia-3λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl)-2-methyl-1H-purin-6-one?

The canonical SMILES for 9-[8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-(hydroxymethyl)-3,3,12-trioxo-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[8-(6-aminopurin-9-yl)-9-fluoro-18-(hydroxymethyl)-3,3,12-trioxo-12-sulfanyl-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[19-(6-aminopurin-9-yl)-4-hydroxy-20-(hydroxymethyl)-12,12-dioxo-4-sulfanylidene-3,5,8,13,16,18-hexaoxa-12λ6-thia-4λ5-phosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-2-methyl-1H-purin-6-one;9-(3,9-dihydroxy-18-methyl-3,12,12-trioxo-8-purin-9-yl-2,4,7,11,16-pentaoxa-12λ6-thia-3λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl)-2-methyl-1H-purin-6-one is Cc1nc2c(ncn2C2OC3CCS(=O)(=O)OC4C(COP(=O)(O)OC2C3C)OC(n2cnc3cncnc32)C4O)c(=O)[nH]1.Cc1nc2c(ncn2C2OC3CCS(=O)(=O)OC4C5OCC4(COP(O)(=S)OC2C3CO)OC5n2cnc3c(N)ncnc32)c(=O)[nH]1.Cc1nc2c(ncn2C2OC3COP(=O)(O)OC4C(CNS(=O)(=O)OC2C3CO)OC(n2cnc3c(N)ncnc32)C4F)c(=O)[nH]1.Cc1nc2c(ncn2C2OC3COP(=O)(S)OC4C(CNS(=O)(=O)OC2C3CO)OC(n2cnc3c(N)ncnc32)C4F)c(=O)[nH]1.

What is the InChIKey of 9-[8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-(hydroxymethyl)-3,3,12-trioxo-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[8-(6-aminopurin-9-yl)-9-fluoro-18-(hydroxymethyl)-3,3,12-trioxo-12-sulfanyl-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[19-(6-aminopurin-9-yl)-4-hydroxy-20-(hydroxymethyl)-12,12-dioxo-4-sulfanylidene-3,5,8,13,16,18-hexaoxa-12λ6-thia-4λ5-phosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-2-methyl-1H-purin-6-one;9-(3,9-dihydroxy-18-methyl-3,12,12-trioxo-8-purin-9-yl-2,4,7,11,16-pentaoxa-12λ6-thia-3λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl)-2-methyl-1H-purin-6-one?

The InChIKey is VKDVJYBEJOQTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N9O11PS2.C23H27N8O11PS.C22H26FN10O11PS.C22H26FN10O10PS2/c1-10-30-20-14(21(35)31-10)29-9-33(20)22-15-11(4-34)12(41-22)2-3-47(37,38)44-17-16-23(32-8-28-13-18(25)26-7-27-19(13)32)42-24(17,5-39-16)6-40-45(36,46)43-15;1-10-13-3-4-44(36,37)42-18-14(40-22(16(18)32)30-8-26-12-5-24-7-25-19(12)30)6-38-43(34,35)41-17(10)23(39-13)31-9-27-15-20(31)28-11(2)29-21(15)33;1-8-30-19-14(20(35)31-8)28-7-33(19)22-15-9(3-34)11(42-22)4-40-45(36,37)43-16-10(2-29-46(38,39)44-15)41-21(12(16)23)32-6-27-13-17(24)25-5-26-18(13)32;1-8-30-19-14(20(35)31-8)28-7-33(19)22-15-9(3-34)11(41-22)4-39-44(36,45)42-16-10(2-29-46(37,38)43-15)40-21(12(16)23)32-6-27-13-17(24)25-5-26-18(13)32/h7-9,11-12,15-17,22-23,34H,2-6H2,1H3,(H,36,46)(H2,25,26,27)(H,30,31,35);5,7-10,13-14,16-18,22-23,32H,3-4,6H2,1-2H3,(H,34,35)(H,28,29,33);5-7,9-12,15-16,21-22,29,34H,2-4H2,1H3,(H,36,37)(H2,24,25,26)(H,30,31,35);5-7,9-12,15-16,21-22,29,34H,2-4H2,1H3,(H,36,45)(H2,24,25,26)(H,30,31,35).

What are the key properties of 9-[8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-(hydroxymethyl)-3,3,12-trioxo-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[8-(6-aminopurin-9-yl)-9-fluoro-18-(hydroxymethyl)-3,3,12-trioxo-12-sulfanyl-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[19-(6-aminopurin-9-yl)-4-hydroxy-20-(hydroxymethyl)-12,12-dioxo-4-sulfanylidene-3,5,8,13,16,18-hexaoxa-12λ6-thia-4λ5-phosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-2-methyl-1H-purin-6-one;9-(3,9-dihydroxy-18-methyl-3,12,12-trioxo-8-purin-9-yl-2,4,7,11,16-pentaoxa-12λ6-thia-3λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl)-2-methyl-1H-purin-6-one?

9-[8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-(hydroxymethyl)-3,3,12-trioxo-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[8-(6-aminopurin-9-yl)-9-fluoro-18-(hydroxymethyl)-3,3,12-trioxo-12-sulfanyl-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[19-(6-aminopurin-9-yl)-4-hydroxy-20-(hydroxymethyl)-12,12-dioxo-4-sulfanylidene-3,5,8,13,16,18-hexaoxa-12λ6-thia-4λ5-phosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-2-methyl-1H-purin-6-one;9-(3,9-dihydroxy-18-methyl-3,12,12-trioxo-8-purin-9-yl-2,4,7,11,16-pentaoxa-12λ6-thia-3λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl)-2-methyl-1H-purin-6-one has a molecular weight of 2761.37 g/mol, XLogP of -3.97, 11 rotatable bonds, 17 hydrogen bond donors, and 72 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-(hydroxymethyl)-3,3,12-trioxo-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[8-(6-aminopurin-9-yl)-9-fluoro-18-(hydroxymethyl)-3,3,12-trioxo-12-sulfanyl-2,7,11,13,16-pentaoxa-3λ6-thia-4-aza-12λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one;9-[19-(6-aminopurin-9-yl)-4-hydroxy-20-(hydroxymethyl)-12,12-dioxo-4-sulfanylidene-3,5,8,13,16,18-hexaoxa-12λ6-thia-4λ5-phosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-2-methyl-1H-purin-6-one;9-(3,9-dihydroxy-18-methyl-3,12,12-trioxo-8-purin-9-yl-2,4,7,11,16-pentaoxa-12λ6-thia-3λ5-phosphatricyclo[13.2.1.06,10]octadecan-17-yl)-2-methyl-1H-purin-6-one is sourced from PubChem (CID 161321143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).