2-amino-9-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;[(2R,3R,4S,5R)-2-[[[(2R,3S,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium;[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluoro-2-[[hydroxy-[(2R,3R,5S)-5-(hydroxymethyl)-2-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxo-sulfanylphosphanium

C88H99F6N31O34P8S10+2 — CID 162219441

About 2-amino-9-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;[(2R,3R,4S,5R)-2-[[[(2R,3S,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium;[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluoro-2-[[hydroxy-[(2R,3R,5S)-5-(hydroxymethyl)-2-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxo-sulfanylphosphanium

2-amino-9-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;[(2R,3R,4S,5R)-2-[[[(2R,3S,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium;[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluoro-2-[[hydroxy-[(2R,3R,5S)-5-(hydroxymethyl)-2-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxo-sulfanylphosphanium (PubChem CID 162219441) has the molecular formula C88H99F6N31O34P8S10+2 and a molecular weight of 2817.39 g/mol. Its IUPAC name is 2-amino-9-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;[(2R,3R,4S,5R)-2-[[[(2R,3S,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium;[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluoro-2-[[hydroxy-[(2R,3R,5S)-5-(hydroxymethyl)-2-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxo-sulfanylphosphanium.

Molecular Properties

• Compound Name: 2-amino-9-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;[(2R,3R,4S,5R)-2-[[[(2R,3S,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium;[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluoro-2-[[hydroxy-[(2R,3R,5S)-5-(hydroxymethyl)-2-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxo-sulfanylphosphanium
• PubChem CID: 162219441
• Molecular Formula: C88H99F6N31O34P8S10+2
• Molecular Weight: 2817.39 g/mol
• Exact Mass: 2815.20
• IUPAC Name: 2-amino-9-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;[(2R,3R,4S,5R)-2-[[[(2R,3S,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium;[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluoro-2-[[hydroxy-[(2R,3R,5S)-5-(hydroxymethyl)-2-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxo-sulfanylphosphanium
• SMILES: Nc1cc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](F)[C@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3ccc4c(N)ccnc43)[C@@H](F)[C@@H]2O[P+](=O)S)c(=O)[nH]1.Nc1ccnc2c1ccn2[C@@H]1O[C@H](COP(O)(=S)O[C@@H]2C[C@@H](CO)O[C@H]2n2cnc3c(=O)[nH]ccc32)[C@@H](O[P+](=O)S)[C@@H]1F.Nc1nc2c(ncn2[C@@H]2S[C@@H]3COP(O)(=S)O[C@H]4[C@H](F)[C@H](n5ccc6c(N)ccnc65)O[C@@H]4COP(O)(=S)O[C@@H]2C3)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2S[C@@H]3COP(O)(=S)O[C@H]4[C@H](F)[C@H](n5nnc6c(N)ccnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@H]3F)c(=O)[nH]1
• InChI: InChI=1S/C23H25F2N7O9P2S2.C23H25FN6O9P2S2.C22H25FN8O8P2S3.C20H22F2N10O8P2S3/c24-15-12(6-33)38-23(32-8-29-17-11(32)5-14(27)30-21(17)34)19(15)41-43(36,45)37-7-13-18(40-42(35)44)16(25)22(39-13)31-4-2-9-10(26)1-3-28-20(9)31;24-17-19(38-40(33)42)16(37-23(17)29-6-3-12-13(25)1-4-26-20(12)29)9-35-41(34,43)39-15-7-11(8-31)36-22(15)30-10-28-18-14(30)2-5-27-21(18)32;23-14-16-13(37-20(14)30-4-2-10-11(24)1-3-26-17(10)30)7-36-40(33,42)38-12-5-9(6-35-41(34,43)39-16)44-21(12)31-8-27-15-18(31)28-22(25)29-19(15)32;21-9-8-4-37-42(35,44)39-13-7(38-18(10(13)22)32-15-11(29-30-32)6(23)1-2-25-15)3-36-41(34,43)40-14(9)19(45-8)31-5-26-12-16(31)27-20(24)28-17(12)33/h1-5,8,12-13,15-16,18-19,22-23,33H,6-7H2,(H6-,26,27,28,30,34,35,36,44,45);1-6,10-11,15-17,19,22-23,31H,7-9H2,(H4-,25,26,27,32,33,34,42,43);1-4,8-9,12-14,16,20-21H,5-7H2,(H2,24,26)(H,33,42)(H,34,43)(H3,25,28,29,32);1-2,5,7-10,13-14,18-19H,3-4H2,(H2,23,25)(H,34,43)(H,35,44)(H3,24,27,28,33)/p+2/t12-,13-,15-,16+,18-,19-,22-,23-,43?;11-,15+,16+,17-,19+,22+,23+,41?;9-,12+,13+,14-,16+,20+,21+,40?,41?;7-,8-,9+,10+,13-,14-,18-,19-,41?,42?/m1001/s1
• InChIKey: HTVRMMTZYWSSOO-BPIXUQOXSA-P
• XLogP: 6.84
• TPSA: 888.28 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 63
• Rotatable Bonds: 24
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2817.39
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	63

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 2-amino-9-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;[(2R,3R,4S,5R)-2-[[[(2R,3S,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium;[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluoro-2-[[hydroxy-[(2R,3R,5S)-5-(hydroxymethyl)-2-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxo-sulfanylphosphanium?

The IUPAC name of 2-amino-9-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;[(2R,3R,4S,5R)-2-[[[(2R,3S,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium;[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluoro-2-[[hydroxy-[(2R,3R,5S)-5-(hydroxymethyl)-2-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxo-sulfanylphosphanium (CID 162219441) is 2-amino-9-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;[(2R,3R,4S,5R)-2-[[[(2R,3S,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium;[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluoro-2-[[hydroxy-[(2R,3R,5S)-5-(hydroxymethyl)-2-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxo-sulfanylphosphanium.

What is the SMILES notation for 2-amino-9-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;[(2R,3R,4S,5R)-2-[[[(2R,3S,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium;[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluoro-2-[[hydroxy-[(2R,3R,5S)-5-(hydroxymethyl)-2-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxo-sulfanylphosphanium?

The canonical SMILES for 2-amino-9-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;[(2R,3R,4S,5R)-2-[[[(2R,3S,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium;[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluoro-2-[[hydroxy-[(2R,3R,5S)-5-(hydroxymethyl)-2-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxo-sulfanylphosphanium is Nc1cc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](F)[C@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3ccc4c(N)ccnc43)[C@@H](F)[C@@H]2O[P+](=O)S)c(=O)[nH]1.Nc1ccnc2c1ccn2[C@@H]1O[C@H](COP(O)(=S)O[C@@H]2C[C@@H](CO)O[C@H]2n2cnc3c(=O)[nH]ccc32)[C@@H](O[P+](=O)S)[C@@H]1F.Nc1nc2c(ncn2[C@@H]2S[C@@H]3COP(O)(=S)O[C@H]4[C@H](F)[C@H](n5ccc6c(N)ccnc65)O[C@@H]4COP(O)(=S)O[C@@H]2C3)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2S[C@@H]3COP(O)(=S)O[C@H]4[C@H](F)[C@H](n5nnc6c(N)ccnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@H]3F)c(=O)[nH]1.

What is the InChIKey of 2-amino-9-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;[(2R,3R,4S,5R)-2-[[[(2R,3S,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium;[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluoro-2-[[hydroxy-[(2R,3R,5S)-5-(hydroxymethyl)-2-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxo-sulfanylphosphanium?

The InChIKey is HTVRMMTZYWSSOO-BPIXUQOXSA-P. The full InChI is InChI=1S/C23H25F2N7O9P2S2.C23H25FN6O9P2S2.C22H25FN8O8P2S3.C20H22F2N10O8P2S3/c24-15-12(6-33)38-23(32-8-29-17-11(32)5-14(27)30-21(17)34)19(15)41-43(36,45)37-7-13-18(40-42(35)44)16(25)22(39-13)31-4-2-9-10(26)1-3-28-20(9)31;24-17-19(38-40(33)42)16(37-23(17)29-6-3-12-13(25)1-4-26-20(12)29)9-35-41(34,43)39-15-7-11(8-31)36-22(15)30-10-28-18-14(30)2-5-27-21(18)32;23-14-16-13(37-20(14)30-4-2-10-11(24)1-3-26-17(10)30)7-36-40(33,42)38-12-5-9(6-35-41(34,43)39-16)44-21(12)31-8-27-15-18(31)28-22(25)29-19(15)32;21-9-8-4-37-42(35,44)39-13-7(38-18(10(13)22)32-15-11(29-30-32)6(23)1-2-25-15)3-36-41(34,43)40-14(9)19(45-8)31-5-26-12-16(31)27-20(24)28-17(12)33/h1-5,8,12-13,15-16,18-19,22-23,33H,6-7H2,(H6-,26,27,28,30,34,35,36,44,45);1-6,10-11,15-17,19,22-23,31H,7-9H2,(H4-,25,26,27,32,33,34,42,43);1-4,8-9,12-14,16,20-21H,5-7H2,(H2,24,26)(H,33,42)(H,34,43)(H3,25,28,29,32);1-2,5,7-10,13-14,18-19H,3-4H2,(H2,23,25)(H,34,43)(H,35,44)(H3,24,27,28,33)/p+2/t12-,13-,15-,16+,18-,19-,22-,23-,43?;11-,15+,16+,17-,19+,22+,23+,41?;9-,12+,13+,14-,16+,20+,21+,40?,41?;7-,8-,9+,10+,13-,14-,18-,19-,41?,42?/m1001/s1.

What are the key properties of 2-amino-9-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;[(2R,3R,4S,5R)-2-[[[(2R,3S,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium;[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluoro-2-[[hydroxy-[(2R,3R,5S)-5-(hydroxymethyl)-2-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxo-sulfanylphosphanium?

2-amino-9-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;[(2R,3R,4S,5R)-2-[[[(2R,3S,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium;[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluoro-2-[[hydroxy-[(2R,3R,5S)-5-(hydroxymethyl)-2-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxo-sulfanylphosphanium has a molecular weight of 2817.39 g/mol, XLogP of 6.84, 24 rotatable bonds, 21 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;[(2R,3R,4S,5R)-2-[[[(2R,3S,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium;[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-4-fluoro-2-[[hydroxy-[(2R,3R,5S)-5-(hydroxymethyl)-2-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxo-sulfanylphosphanium is sourced from PubChem (CID 162219441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).