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

C84H92F5N33O36P8S8 — CID 163626190

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

(1R,21S,23R)-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-23-(5-methyl-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,22R,24R,25R)-16,16,25-trifluoro-19-hydroxy-24-(2-methyl-6-oxo-1H-purin-9-yl)-3-oxo-3-sulfanyl-19-sulfanylidene-2,4,18,20,23-pentaoxa-7,12,14-triaza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8(13),9,11-tetraene-10-carboxamide (PubChem CID 163626190) has the molecular formula C84H92F5N33O36P8S8 and a molecular weight of 2739.17 g/mol. Its IUPAC name is (1R,21S,23R)-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-23-(5-methyl-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,22R,24R,25R)-16,16,25-trifluoro-19-hydroxy-24-(2-methyl-6-oxo-1H-purin-9-yl)-3-oxo-3-sulfanyl-19-sulfanylidene-2,4,18,20,23-pentaoxa-7,12,14-triaza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8(13),9,11-tetraene-10-carboxamide.

Molecular Properties

• Compound Name: (1R,21S,23R)-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-23-(5-methyl-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,22R,24R,25R)-16,16,25-trifluoro-19-hydroxy-24-(2-methyl-6-oxo-1H-purin-9-yl)-3-oxo-3-sulfanyl-19-sulfanylidene-2,4,18,20,23-pentaoxa-7,12,14-triaza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8(13),9,11-tetraene-10-carboxamide
• PubChem CID: 163626190
• Molecular Formula: C84H92F5N33O36P8S8
• Molecular Weight: 2739.17 g/mol
• Exact Mass: 2737.20
• IUPAC Name: (1R,21S,23R)-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-23-(5-methyl-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,22R,24R,25R)-16,16,25-trifluoro-19-hydroxy-24-(2-methyl-6-oxo-1H-purin-9-yl)-3-oxo-3-sulfanyl-19-sulfanylidene-2,4,18,20,23-pentaoxa-7,12,14-triaza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8(13),9,11-tetraene-10-carboxamide
• SMILES: Cc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)OCC(F)(F)Cn4c(nc5cc(C(N)=O)cnc54)COP(=O)(S)O[C@@H]2[C@@H]3F)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)OCCn4c(nc5cc(C(N)=O)cnc54)COP(O)(=S)O[C@@H]2C3)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)OCCn4c(nc5cc(C(N)=O)cnc54)COP(O)(=S)O[C@@H]2[C@H]3F)c(=O)[nH]1.Cc1nc2c(nnn2[C@@H]2O[C@@H]3COP(O)(=S)OCCn4c(nc5cc(C(N)=O)cnc54)COP(O)(=S)O[C@@H]2[C@@H]3F)c(=O)[nH]1
• InChI: InChI=1S/C22H23F3N8O9P2S2.C21H23FN8O9P2S2.C21H24N8O9P2S2.C20H22FN9O9P2S2/c1-9-29-19-15(20(35)30-9)28-8-33(19)21-16-14(23)12(41-21)4-38-43(36,45)40-7-22(24,25)6-32-13(5-39-44(37,46)42-16)31-11-2-10(17(26)34)3-27-18(11)32;1-9-26-19-15(20(32)27-9)25-8-30(19)21-16-14(22)12(38-21)6-36-40(33,42)35-3-2-29-13(7-37-41(34,43)39-16)28-11-4-10(17(23)31)5-24-18(11)29;1-10-25-19-16(20(31)26-10)24-9-29(19)21-14-5-12(37-21)7-35-39(32,41)34-3-2-28-15(8-36-40(33,42)38-14)27-13-4-11(17(22)30)6-23-18(13)28;1-8-24-18-14(19(32)25-8)27-28-30(18)20-15-13(21)11(38-20)6-36-40(33,42)35-3-2-29-12(7-37-41(34,43)39-15)26-10-4-9(16(22)31)5-23-17(10)29/h2-3,8,12,14,16,21H,4-7H2,1H3,(H2,26,34)(H,36,45)(H,37,46)(H,29,30,35);4-5,8,12,14,16,21H,2-3,6-7H2,1H3,(H2,23,31)(H,33,42)(H,34,43)(H,26,27,32);4,6,9,12,14,21H,2-3,5,7-8H2,1H3,(H2,22,30)(H,32,41)(H,33,42)(H,25,26,31);4-5,11,13,15,20H,2-3,6-7H2,1H3,(H2,22,31)(H,33,42)(H,34,43)(H,24,25,32)/t12-,14-,16-,21-,43?,44?;12-,14+,16-,21-,40?,41?;12-,14+,21+,39?,40?;11-,13-,15-,20-,40?,41?/m1101/s1
• InChIKey: HSFCVZOQPXPMGD-MGOWYILASA-N
• XLogP: 3.26
• TPSA: 905.65 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 61
• Rotatable Bonds: 8
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2739.17
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	61

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

The IUPAC name of (1R,21S,23R)-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-23-(5-methyl-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,22R,24R,25R)-16,16,25-trifluoro-19-hydroxy-24-(2-methyl-6-oxo-1H-purin-9-yl)-3-oxo-3-sulfanyl-19-sulfanylidene-2,4,18,20,23-pentaoxa-7,12,14-triaza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8(13),9,11-tetraene-10-carboxamide (CID 163626190) is (1R,21S,23R)-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-23-(5-methyl-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,22R,24R,25R)-16,16,25-trifluoro-19-hydroxy-24-(2-methyl-6-oxo-1H-purin-9-yl)-3-oxo-3-sulfanyl-19-sulfanylidene-2,4,18,20,23-pentaoxa-7,12,14-triaza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8(13),9,11-tetraene-10-carboxamide.

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

The canonical SMILES for (1R,21S,23R)-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-23-(5-methyl-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,22R,24R,25R)-16,16,25-trifluoro-19-hydroxy-24-(2-methyl-6-oxo-1H-purin-9-yl)-3-oxo-3-sulfanyl-19-sulfanylidene-2,4,18,20,23-pentaoxa-7,12,14-triaza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8(13),9,11-tetraene-10-carboxamide is Cc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)OCC(F)(F)Cn4c(nc5cc(C(N)=O)cnc54)COP(=O)(S)O[C@@H]2[C@@H]3F)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)OCCn4c(nc5cc(C(N)=O)cnc54)COP(O)(=S)O[C@@H]2C3)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)OCCn4c(nc5cc(C(N)=O)cnc54)COP(O)(=S)O[C@@H]2[C@H]3F)c(=O)[nH]1.Cc1nc2c(nnn2[C@@H]2O[C@@H]3COP(O)(=S)OCCn4c(nc5cc(C(N)=O)cnc54)COP(O)(=S)O[C@@H]2[C@@H]3F)c(=O)[nH]1.

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

The InChIKey is HSFCVZOQPXPMGD-MGOWYILASA-N. The full InChI is InChI=1S/C22H23F3N8O9P2S2.C21H23FN8O9P2S2.C21H24N8O9P2S2.C20H22FN9O9P2S2/c1-9-29-19-15(20(35)30-9)28-8-33(19)21-16-14(23)12(41-21)4-38-43(36,45)40-7-22(24,25)6-32-13(5-39-44(37,46)42-16)31-11-2-10(17(26)34)3-27-18(11)32;1-9-26-19-15(20(32)27-9)25-8-30(19)21-16-14(22)12(38-21)6-36-40(33,42)35-3-2-29-13(7-37-41(34,43)39-16)28-11-4-10(17(23)31)5-24-18(11)29;1-10-25-19-16(20(31)26-10)24-9-29(19)21-14-5-12(37-21)7-35-39(32,41)34-3-2-28-15(8-36-40(33,42)38-14)27-13-4-11(17(22)30)6-23-18(13)28;1-8-24-18-14(19(32)25-8)27-28-30(18)20-15-13(21)11(38-20)6-36-40(33,42)35-3-2-29-12(7-37-41(34,43)39-15)26-10-4-9(16(22)31)5-23-17(10)29/h2-3,8,12,14,16,21H,4-7H2,1H3,(H2,26,34)(H,36,45)(H,37,46)(H,29,30,35);4-5,8,12,14,16,21H,2-3,6-7H2,1H3,(H2,23,31)(H,33,42)(H,34,43)(H,26,27,32);4,6,9,12,14,21H,2-3,5,7-8H2,1H3,(H2,22,30)(H,32,41)(H,33,42)(H,25,26,31);4-5,11,13,15,20H,2-3,6-7H2,1H3,(H2,22,31)(H,33,42)(H,34,43)(H,24,25,32)/t12-,14-,16-,21-,43?,44?;12-,14+,16-,21-,40?,41?;12-,14+,21+,39?,40?;11-,13-,15-,20-,40?,41?/m1101/s1.

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

(1R,21S,23R)-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-23-(5-methyl-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,22R,24R,25R)-16,16,25-trifluoro-19-hydroxy-24-(2-methyl-6-oxo-1H-purin-9-yl)-3-oxo-3-sulfanyl-19-sulfanylidene-2,4,18,20,23-pentaoxa-7,12,14-triaza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8(13),9,11-tetraene-10-carboxamide has a molecular weight of 2739.17 g/mol, XLogP of 3.26, 8 rotatable bonds, 16 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,21S,23R)-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-23-(2-methyl-6-oxo-1H-purin-9-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,21R,23R,24R)-24-fluoro-3,18-dihydroxy-23-(5-methyl-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3,18-bis(sulfanylidene)-2,4,17,19,22-pentaoxa-7,12,14-triaza-3λ5,18λ5-diphosphatetracyclo[19.2.1.06,14.08,13]tetracosa-6,8(13),9,11-tetraene-10-carboxamide;(1S,22R,24R,25R)-16,16,25-trifluoro-19-hydroxy-24-(2-methyl-6-oxo-1H-purin-9-yl)-3-oxo-3-sulfanyl-19-sulfanylidene-2,4,18,20,23-pentaoxa-7,12,14-triaza-3λ5,19λ5-diphosphatetracyclo[20.2.1.06,14.08,13]pentacosa-6,8(13),9,11-tetraene-10-carboxamide is sourced from PubChem (CID 163626190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).