9-[(1S,22R,24R,25R)-25-fluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-6-methylidene-1H-purin-2-amine;9-[(1S,15S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-15-methyl-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,10,12,14-tetraza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8,10,12-tetraen-23-yl]-6-methylidene-1H-purin-2-amine;3-[(1S,21R,23R,24R)-24-fluoro-18-hydroxy-3-oxo-3-sulfanyl-18-sulfanylidene-2,4,17,19,22-pentaoxa-7,10,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraen-23-yl]-7-methylidene-6H-imidazo[4,5-b]pyridin-5-amine;6-methylidene-9-[(1S,22R,24R,25R)-16,16,25-trifluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-1H-purin-2-amine

C81H94F6N34O28P8S8 — CID 163675596

About 9-[(1S,22R,24R,25R)-25-fluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-6-methylidene-1H-purin-2-amine;9-[(1S,15S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-15-methyl-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,10,12,14-tetraza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8,10,12-tetraen-23-yl]-6-methylidene-1H-purin-2-amine;3-[(1S,21R,23R,24R)-24-fluoro-18-hydroxy-3-oxo-3-sulfanyl-18-sulfanylidene-2,4,17,19,22-pentaoxa-7,10,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraen-23-yl]-7-methylidene-6H-imidazo[4,5-b]pyridin-5-amine;6-methylidene-9-[(1S,22R,24R,25R)-16,16,25-trifluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-1H-purin-2-amine

9-[(1S,22R,24R,25R)-25-fluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-6-methylidene-1H-purin-2-amine;9-[(1S,15S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-15-methyl-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,10,12,14-tetraza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8,10,12-tetraen-23-yl]-6-methylidene-1H-purin-2-amine;3-[(1S,21R,23R,24R)-24-fluoro-18-hydroxy-3-oxo-3-sulfanyl-18-sulfanylidene-2,4,17,19,22-pentaoxa-7,10,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraen-23-yl]-7-methylidene-6H-imidazo[4,5-b]pyridin-5-amine;6-methylidene-9-[(1S,22R,24R,25R)-16,16,25-trifluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-1H-purin-2-amine (PubChem CID 163675596) has the molecular formula C81H94F6N34O28P8S8 and a molecular weight of 2610.17 g/mol. Its IUPAC name is 9-[(1S,22R,24R,25R)-25-fluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-6-methylidene-1H-purin-2-amine;9-[(1S,15S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-15-methyl-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,10,12,14-tetraza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8,10,12-tetraen-23-yl]-6-methylidene-1H-purin-2-amine;3-[(1S,21R,23R,24R)-24-fluoro-18-hydroxy-3-oxo-3-sulfanyl-18-sulfanylidene-2,4,17,19,22-pentaoxa-7,10,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraen-23-yl]-7-methylidene-6H-imidazo[4,5-b]pyridin-5-amine;6-methylidene-9-[(1S,22R,24R,25R)-16,16,25-trifluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-1H-purin-2-amine.

Molecular Properties

• Compound Name: 9-[(1S,22R,24R,25R)-25-fluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-6-methylidene-1H-purin-2-amine;9-[(1S,15S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-15-methyl-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,10,12,14-tetraza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8,10,12-tetraen-23-yl]-6-methylidene-1H-purin-2-amine;3-[(1S,21R,23R,24R)-24-fluoro-18-hydroxy-3-oxo-3-sulfanyl-18-sulfanylidene-2,4,17,19,22-pentaoxa-7,10,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraen-23-yl]-7-methylidene-6H-imidazo[4,5-b]pyridin-5-amine;6-methylidene-9-[(1S,22R,24R,25R)-16,16,25-trifluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-1H-purin-2-amine
• PubChem CID: 163675596
• Molecular Formula: C81H94F6N34O28P8S8
• Molecular Weight: 2610.17 g/mol
• Exact Mass: 2608.25
• IUPAC Name: 9-[(1S,22R,24R,25R)-25-fluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-6-methylidene-1H-purin-2-amine;9-[(1S,15S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-15-methyl-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,10,12,14-tetraza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8,10,12-tetraen-23-yl]-6-methylidene-1H-purin-2-amine;3-[(1S,21R,23R,24R)-24-fluoro-18-hydroxy-3-oxo-3-sulfanyl-18-sulfanylidene-2,4,17,19,22-pentaoxa-7,10,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraen-23-yl]-7-methylidene-6H-imidazo[4,5-b]pyridin-5-amine;6-methylidene-9-[(1S,22R,24R,25R)-16,16,25-trifluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-1H-purin-2-amine
• SMILES: C=C1CC(N)=Nc2c1ncn2[C@@H]1O[C@@H]2COP(O)(=S)OCCn3c(nc4cnccc43)COP(=O)(S)O[C@@H]1[C@@H]2F.C=C1NC(N)=Nc2c1ncn2[C@@H]1O[C@@H]2COP(O)(=S)OCC(F)(F)Cn3c(nc4cncnc43)COP(O)(=S)O[C@@H]1[C@@H]2F.C=C1NC(N)=Nc2c1ncn2[C@@H]1O[C@@H]2COP(O)(=S)OCCCn3c(nc4cncnc43)COP(O)(=S)O[C@@H]1[C@@H]2F.C=C1NC(N)=Nc2c1ncn2[C@@H]1O[C@@H]2COP(O)(=S)OC[C@H](C)n3c(nc4cncnc43)COP(O)(=S)O[C@@H]1[C@@H]2F
• InChI: InChI=1S/C21H24FN7O7P2S2.C20H22F3N9O7P2S2.2C20H24FN9O7P2S2/c1-11-6-15(23)27-20-18(11)25-10-29(20)21-19-17(22)14(35-21)8-33-37(30,39)32-5-4-28-13-2-3-24-7-12(13)26-16(28)9-34-38(31,40)36-19;1-9-14-17(30-19(24)28-9)32(8-27-14)18-15-13(21)11(38-18)3-35-40(33,42)37-6-20(22,23)5-31-12(4-36-41(34,43)39-15)29-10-2-25-7-26-16(10)31;1-9-4-33-38(31,40)34-5-12-14(21)16(19(36-12)29-8-25-15-10(2)26-20(22)28-18(15)29)37-39(32,41)35-6-13-27-11-3-23-7-24-17(11)30(9)13;1-10-15-18(28-20(22)26-10)30(9-25-15)19-16-14(21)12(36-19)6-34-38(31,40)33-4-2-3-29-13(7-35-39(32,41)37-16)27-11-5-23-8-24-17(11)29/h2-3,7,10,14,17,19,21H,1,4-6,8-9H2,(H2,23,27)(H,30,39)(H,31,40);2,7-8,11,13,15,18H,1,3-6H2,(H,33,42)(H,34,43)(H3,24,28,30);3,7-9,12,14,16,19H,2,4-6H2,1H3,(H,31,40)(H,32,41)(H3,22,26,28);5,8-9,12,14,16,19H,1-4,6-7H2,(H,31,40)(H,32,41)(H3,22,26,28)/t14-,17-,19-,21-,37?,38?;11-,13-,15-,18-,40?,41?;9-,12+,14+,16+,19+,38?,39?;12-,14-,16-,19-,38?,39?/m1101/s1
• InChIKey: JGKUPUFRPKZXLR-HNNMXJROSA-N
• XLogP: 7.34
• TPSA: 765.68 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 62
• Rotatable Bonds: 4
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2610.17
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	62

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 9-[(1S,22R,24R,25R)-25-fluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-6-methylidene-1H-purin-2-amine;9-[(1S,15S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-15-methyl-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,10,12,14-tetraza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8,10,12-tetraen-23-yl]-6-methylidene-1H-purin-2-amine;3-[(1S,21R,23R,24R)-24-fluoro-18-hydroxy-3-oxo-3-sulfanyl-18-sulfanylidene-2,4,17,19,22-pentaoxa-7,10,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraen-23-yl]-7-methylidene-6H-imidazo[4,5-b]pyridin-5-amine;6-methylidene-9-[(1S,22R,24R,25R)-16,16,25-trifluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-1H-purin-2-amine?

The IUPAC name of 9-[(1S,22R,24R,25R)-25-fluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-6-methylidene-1H-purin-2-amine;9-[(1S,15S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-15-methyl-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,10,12,14-tetraza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8,10,12-tetraen-23-yl]-6-methylidene-1H-purin-2-amine;3-[(1S,21R,23R,24R)-24-fluoro-18-hydroxy-3-oxo-3-sulfanyl-18-sulfanylidene-2,4,17,19,22-pentaoxa-7,10,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraen-23-yl]-7-methylidene-6H-imidazo[4,5-b]pyridin-5-amine;6-methylidene-9-[(1S,22R,24R,25R)-16,16,25-trifluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-1H-purin-2-amine (CID 163675596) is 9-[(1S,22R,24R,25R)-25-fluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-6-methylidene-1H-purin-2-amine;9-[(1S,15S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-15-methyl-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,10,12,14-tetraza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8,10,12-tetraen-23-yl]-6-methylidene-1H-purin-2-amine;3-[(1S,21R,23R,24R)-24-fluoro-18-hydroxy-3-oxo-3-sulfanyl-18-sulfanylidene-2,4,17,19,22-pentaoxa-7,10,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraen-23-yl]-7-methylidene-6H-imidazo[4,5-b]pyridin-5-amine;6-methylidene-9-[(1S,22R,24R,25R)-16,16,25-trifluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-1H-purin-2-amine.

What is the SMILES notation for 9-[(1S,22R,24R,25R)-25-fluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-6-methylidene-1H-purin-2-amine;9-[(1S,15S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-15-methyl-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,10,12,14-tetraza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8,10,12-tetraen-23-yl]-6-methylidene-1H-purin-2-amine;3-[(1S,21R,23R,24R)-24-fluoro-18-hydroxy-3-oxo-3-sulfanyl-18-sulfanylidene-2,4,17,19,22-pentaoxa-7,10,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraen-23-yl]-7-methylidene-6H-imidazo[4,5-b]pyridin-5-amine;6-methylidene-9-[(1S,22R,24R,25R)-16,16,25-trifluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-1H-purin-2-amine?

The canonical SMILES for 9-[(1S,22R,24R,25R)-25-fluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-6-methylidene-1H-purin-2-amine;9-[(1S,15S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-15-methyl-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,10,12,14-tetraza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8,10,12-tetraen-23-yl]-6-methylidene-1H-purin-2-amine;3-[(1S,21R,23R,24R)-24-fluoro-18-hydroxy-3-oxo-3-sulfanyl-18-sulfanylidene-2,4,17,19,22-pentaoxa-7,10,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraen-23-yl]-7-methylidene-6H-imidazo[4,5-b]pyridin-5-amine;6-methylidene-9-[(1S,22R,24R,25R)-16,16,25-trifluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-1H-purin-2-amine is C=C1CC(N)=Nc2c1ncn2[C@@H]1O[C@@H]2COP(O)(=S)OCCn3c(nc4cnccc43)COP(=O)(S)O[C@@H]1[C@@H]2F.C=C1NC(N)=Nc2c1ncn2[C@@H]1O[C@@H]2COP(O)(=S)OCC(F)(F)Cn3c(nc4cncnc43)COP(O)(=S)O[C@@H]1[C@@H]2F.C=C1NC(N)=Nc2c1ncn2[C@@H]1O[C@@H]2COP(O)(=S)OCCCn3c(nc4cncnc43)COP(O)(=S)O[C@@H]1[C@@H]2F.C=C1NC(N)=Nc2c1ncn2[C@@H]1O[C@@H]2COP(O)(=S)OC[C@H](C)n3c(nc4cncnc43)COP(O)(=S)O[C@@H]1[C@@H]2F.

What is the InChIKey of 9-[(1S,22R,24R,25R)-25-fluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-6-methylidene-1H-purin-2-amine;9-[(1S,15S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-15-methyl-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,10,12,14-tetraza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8,10,12-tetraen-23-yl]-6-methylidene-1H-purin-2-amine;3-[(1S,21R,23R,24R)-24-fluoro-18-hydroxy-3-oxo-3-sulfanyl-18-sulfanylidene-2,4,17,19,22-pentaoxa-7,10,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraen-23-yl]-7-methylidene-6H-imidazo[4,5-b]pyridin-5-amine;6-methylidene-9-[(1S,22R,24R,25R)-16,16,25-trifluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-1H-purin-2-amine?

The InChIKey is JGKUPUFRPKZXLR-HNNMXJROSA-N. The full InChI is InChI=1S/C21H24FN7O7P2S2.C20H22F3N9O7P2S2.2C20H24FN9O7P2S2/c1-11-6-15(23)27-20-18(11)25-10-29(20)21-19-17(22)14(35-21)8-33-37(30,39)32-5-4-28-13-2-3-24-7-12(13)26-16(28)9-34-38(31,40)36-19;1-9-14-17(30-19(24)28-9)32(8-27-14)18-15-13(21)11(38-18)3-35-40(33,42)37-6-20(22,23)5-31-12(4-36-41(34,43)39-15)29-10-2-25-7-26-16(10)31;1-9-4-33-38(31,40)34-5-12-14(21)16(19(36-12)29-8-25-15-10(2)26-20(22)28-18(15)29)37-39(32,41)35-6-13-27-11-3-23-7-24-17(11)30(9)13;1-10-15-18(28-20(22)26-10)30(9-25-15)19-16-14(21)12(36-19)6-34-38(31,40)33-4-2-3-29-13(7-35-39(32,41)37-16)27-11-5-23-8-24-17(11)29/h2-3,7,10,14,17,19,21H,1,4-6,8-9H2,(H2,23,27)(H,30,39)(H,31,40);2,7-8,11,13,15,18H,1,3-6H2,(H,33,42)(H,34,43)(H3,24,28,30);3,7-9,12,14,16,19H,2,4-6H2,1H3,(H,31,40)(H,32,41)(H3,22,26,28);5,8-9,12,14,16,19H,1-4,6-7H2,(H,31,40)(H,32,41)(H3,22,26,28)/t14-,17-,19-,21-,37?,38?;11-,13-,15-,18-,40?,41?;9-,12+,14+,16+,19+,38?,39?;12-,14-,16-,19-,38?,39?/m1101/s1.

What are the key properties of 9-[(1S,22R,24R,25R)-25-fluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-6-methylidene-1H-purin-2-amine;9-[(1S,15S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-15-methyl-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,10,12,14-tetraza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8,10,12-tetraen-23-yl]-6-methylidene-1H-purin-2-amine;3-[(1S,21R,23R,24R)-24-fluoro-18-hydroxy-3-oxo-3-sulfanyl-18-sulfanylidene-2,4,17,19,22-pentaoxa-7,10,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraen-23-yl]-7-methylidene-6H-imidazo[4,5-b]pyridin-5-amine;6-methylidene-9-[(1S,22R,24R,25R)-16,16,25-trifluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-1H-purin-2-amine?

9-[(1S,22R,24R,25R)-25-fluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-6-methylidene-1H-purin-2-amine;9-[(1S,15S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-15-methyl-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,10,12,14-tetraza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8,10,12-tetraen-23-yl]-6-methylidene-1H-purin-2-amine;3-[(1S,21R,23R,24R)-24-fluoro-18-hydroxy-3-oxo-3-sulfanyl-18-sulfanylidene-2,4,17,19,22-pentaoxa-7,10,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraen-23-yl]-7-methylidene-6H-imidazo[4,5-b]pyridin-5-amine;6-methylidene-9-[(1S,22R,24R,25R)-16,16,25-trifluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-1H-purin-2-amine has a molecular weight of 2610.17 g/mol, XLogP of 7.34, 4 rotatable bonds, 15 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(1S,22R,24R,25R)-25-fluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-6-methylidene-1H-purin-2-amine;9-[(1S,15S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-15-methyl-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,10,12,14-tetraza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8,10,12-tetraen-23-yl]-6-methylidene-1H-purin-2-amine;3-[(1S,21R,23R,24R)-24-fluoro-18-hydroxy-3-oxo-3-sulfanyl-18-sulfanylidene-2,4,17,19,22-pentaoxa-7,10,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraen-23-yl]-7-methylidene-6H-imidazo[4,5-b]pyridin-5-amine;6-methylidene-9-[(1S,22R,24R,25R)-16,16,25-trifluoro-3,19-dihydroxy-3,19-bis(sulfanylidene)-2,4,18,20,23-pentaoxa-7,10,12,14-tetraza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8,10,12-tetraen-24-yl]-1H-purin-2-amine is sourced from PubChem (CID 163675596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).