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

C88H96F7N31O34P8S10 — CID 165023549

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

bis(5-amino-3-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(4-aminopyrrolo[2,3-b]pyridin-1-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]-6H-triazolo[4,5-d]pyrimidin-7-one);6-amino-1-[(1S,6R,8R,9S,10R,15R,17R,18R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9,18-difluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one;1-[(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)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 165023549) has the molecular formula C88H96F7N31O34P8S10 and a molecular weight of 2833.37 g/mol. Its IUPAC name is bis(5-amino-3-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(4-aminopyrrolo[2,3-b]pyridin-1-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]-6H-triazolo[4,5-d]pyrimidin-7-one);6-amino-1-[(1S,6R,8R,9S,10R,15R,17R,18R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9,18-difluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one;1-[(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)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

• Compound Name: bis(5-amino-3-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(4-aminopyrrolo[2,3-b]pyridin-1-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]-6H-triazolo[4,5-d]pyrimidin-7-one);6-amino-1-[(1S,6R,8R,9S,10R,15R,17R,18R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9,18-difluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one;1-[(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)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one
• PubChem CID: 165023549
• Molecular Formula: C88H96F7N31O34P8S10
• Molecular Weight: 2833.37 g/mol
• Exact Mass: 2831.17
• IUPAC Name: bis(5-amino-3-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(4-aminopyrrolo[2,3-b]pyridin-1-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]-6H-triazolo[4,5-d]pyrimidin-7-one);6-amino-1-[(1S,6R,8R,9S,10R,15R,17R,18R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9,18-difluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one;1-[(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)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one
• SMILES: Nc1cc2c(ncn2[C@@H]2O[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]2[C@@H]3F)c(=O)[nH]1.Nc1ccnc2c1ccn2[C@@H]1O[C@@H]2COP(O)(=S)O[C@@H]3C[C@@H](COP(O)(=S)O[C@H]2[C@@H]1F)O[C@H]3n1cnc2c(=O)[nH]ccc21.Nc1nc2c(nnn2[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]2[C@@H]3F)c(=O)[nH]1.Nc1nc2c(nnn2[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]2[C@@H]3F)c(=O)[nH]1
• InChI: InChI=1S/C23H25F2N7O9P2S2.C23H25FN6O9P2S2.2C21H23F2N9O8P2S3/c24-15-12-6-36-42(34,44)40-18-13(39-22(16(18)25)31-4-2-9-10(26)1-3-28-20(9)31)7-37-43(35,45)41-19(15)23(38-12)32-8-29-17-11(32)5-14(27)30-21(17)33;24-17-19-16(37-23(17)29-6-3-12-13(25)1-4-26-20(12)29)9-35-40(32,42)38-15-7-11(8-34-41(33,43)39-19)36-22(15)30-10-28-18-14(30)2-5-27-21(18)31;2*22-11-10-6-37-42(35,44)39-14-9(38-19(12(14)23)31-4-2-7-8(24)1-3-26-16(7)31)5-36-41(34,43)40-15(11)20(45-10)32-17-13(29-30-32)18(33)28-21(25)27-17/h1-5,8,12-13,15-16,18-19,22-23H,6-7H2,(H2,26,28)(H,34,44)(H,35,45)(H3,27,30,33);1-6,10-11,15-17,19,22-23H,7-9H2,(H2,25,26)(H,27,31)(H,32,42)(H,33,43);2*1-4,9-12,14-15,19-20H,5-6H2,(H2,24,26)(H,34,43)(H,35,44)(H3,25,27,28,33)/t12-,13-,15-,16+,18-,19-,22-,23-,42?,43?;11-,15+,16+,17-,19+,22+,23+,40?,41?;2*9-,10-,11-,12+,14-,15-,19-,20-,41?,42?/m1011/s1
• InChIKey: LNKZNGJXTRROGQ-SKYPYTRYSA-N
• XLogP: 6.95
• TPSA: 869.44 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 63
• Rotatable Bonds: 8
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2833.37
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	19
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 bis(5-amino-3-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(4-aminopyrrolo[2,3-b]pyridin-1-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]-6H-triazolo[4,5-d]pyrimidin-7-one);6-amino-1-[(1S,6R,8R,9S,10R,15R,17R,18R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9,18-difluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one;1-[(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)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one?

The IUPAC name of bis(5-amino-3-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(4-aminopyrrolo[2,3-b]pyridin-1-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]-6H-triazolo[4,5-d]pyrimidin-7-one);6-amino-1-[(1S,6R,8R,9S,10R,15R,17R,18R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9,18-difluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one;1-[(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)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one (CID 165023549) is bis(5-amino-3-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(4-aminopyrrolo[2,3-b]pyridin-1-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]-6H-triazolo[4,5-d]pyrimidin-7-one);6-amino-1-[(1S,6R,8R,9S,10R,15R,17R,18R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9,18-difluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one;1-[(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)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one.

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

The canonical SMILES for bis(5-amino-3-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(4-aminopyrrolo[2,3-b]pyridin-1-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]-6H-triazolo[4,5-d]pyrimidin-7-one);6-amino-1-[(1S,6R,8R,9S,10R,15R,17R,18R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9,18-difluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one;1-[(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)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one is Nc1cc2c(ncn2[C@@H]2O[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]2[C@@H]3F)c(=O)[nH]1.Nc1ccnc2c1ccn2[C@@H]1O[C@@H]2COP(O)(=S)O[C@@H]3C[C@@H](COP(O)(=S)O[C@H]2[C@@H]1F)O[C@H]3n1cnc2c(=O)[nH]ccc21.Nc1nc2c(nnn2[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]2[C@@H]3F)c(=O)[nH]1.Nc1nc2c(nnn2[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]2[C@@H]3F)c(=O)[nH]1.

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

The InChIKey is LNKZNGJXTRROGQ-SKYPYTRYSA-N. The full InChI is InChI=1S/C23H25F2N7O9P2S2.C23H25FN6O9P2S2.2C21H23F2N9O8P2S3/c24-15-12-6-36-42(34,44)40-18-13(39-22(16(18)25)31-4-2-9-10(26)1-3-28-20(9)31)7-37-43(35,45)41-19(15)23(38-12)32-8-29-17-11(32)5-14(27)30-21(17)33;24-17-19-16(37-23(17)29-6-3-12-13(25)1-4-26-20(12)29)9-35-40(32,42)38-15-7-11(8-34-41(33,43)39-19)36-22(15)30-10-28-18-14(30)2-5-27-21(18)31;2*22-11-10-6-37-42(35,44)39-14-9(38-19(12(14)23)31-4-2-7-8(24)1-3-26-16(7)31)5-36-41(34,43)40-15(11)20(45-10)32-17-13(29-30-32)18(33)28-21(25)27-17/h1-5,8,12-13,15-16,18-19,22-23H,6-7H2,(H2,26,28)(H,34,44)(H,35,45)(H3,27,30,33);1-6,10-11,15-17,19,22-23H,7-9H2,(H2,25,26)(H,27,31)(H,32,42)(H,33,43);2*1-4,9-12,14-15,19-20H,5-6H2,(H2,24,26)(H,34,43)(H,35,44)(H3,25,27,28,33)/t12-,13-,15-,16+,18-,19-,22-,23-,42?,43?;11-,15+,16+,17-,19+,22+,23+,40?,41?;2*9-,10-,11-,12+,14-,15-,19-,20-,41?,42?/m1011/s1.

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

bis(5-amino-3-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(4-aminopyrrolo[2,3-b]pyridin-1-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]-6H-triazolo[4,5-d]pyrimidin-7-one);6-amino-1-[(1S,6R,8R,9S,10R,15R,17R,18R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9,18-difluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one;1-[(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)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 2833.37 g/mol, XLogP of 6.95, 8 rotatable bonds, 19 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-amino-3-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(4-aminopyrrolo[2,3-b]pyridin-1-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]-6H-triazolo[4,5-d]pyrimidin-7-one);6-amino-1-[(1S,6R,8R,9S,10R,15R,17R,18R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9,18-difluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one;1-[(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)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 165023549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).