9-[(1R,21S,23R,24R)-9-amino-18-hydroxy-24-methyl-3-oxo-3-sulfanyl-18-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]-2-methyl-1H-purin-6-one;3-[(1R,21S,23R)-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[(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]-6H-triazolo[4,5-d]pyrimidin-7-one

C75H86F4N36O32P8S8 — CID 163993916

About 9-[(1R,21S,23R,24R)-9-amino-18-hydroxy-24-methyl-3-oxo-3-sulfanyl-18-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]-2-methyl-1H-purin-6-one;3-[(1R,21S,23R)-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[(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]-6H-triazolo[4,5-d]pyrimidin-7-one

9-[(1R,21S,23R,24R)-9-amino-18-hydroxy-24-methyl-3-oxo-3-sulfanyl-18-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]-2-methyl-1H-purin-6-one;3-[(1R,21S,23R)-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[(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]-6H-triazolo[4,5-d]pyrimidin-7-one (PubChem CID 163993916) has the molecular formula C75H86F4N36O32P8S8 and a molecular weight of 2584.05 g/mol. Its IUPAC name is 9-[(1R,21S,23R,24R)-9-amino-18-hydroxy-24-methyl-3-oxo-3-sulfanyl-18-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]-2-methyl-1H-purin-6-one;3-[(1R,21S,23R)-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[(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]-6H-triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 9-[(1R,21S,23R,24R)-9-amino-18-hydroxy-24-methyl-3-oxo-3-sulfanyl-18-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]-2-methyl-1H-purin-6-one;3-[(1R,21S,23R)-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[(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]-6H-triazolo[4,5-d]pyrimidin-7-one
• PubChem CID: 163993916
• Molecular Formula: C75H86F4N36O32P8S8
• Molecular Weight: 2584.05 g/mol
• Exact Mass: 2582.18
• IUPAC Name: 9-[(1R,21S,23R,24R)-9-amino-18-hydroxy-24-methyl-3-oxo-3-sulfanyl-18-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]-2-methyl-1H-purin-6-one;3-[(1R,21S,23R)-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[(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]-6H-triazolo[4,5-d]pyrimidin-7-one
• SMILES: Cc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)OCCn4c(nc5c(N)ncnc54)COP(=O)(S)O[C@@H]2[C@@H]3C)c(=O)[nH]1.Cc1nc2c(nnn2[C@@H]2O[C@@H]3COP(O)(=S)OCC(F)(F)Cn4c(nc5cncnc54)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(nc5cncnc54)COP(O)(=S)O[C@@H]2C3)c(=O)[nH]1.Cc1nc2c(nnn2[C@@H]2O[C@@H]3COP(O)(=S)OCCn4c(nc5cncnc54)COP(O)(=S)O[C@@H]2[C@H]3F)c(=O)[nH]1
• InChI: InChI=1S/C20H25N9O8P2S2.C19H20F3N9O8P2S2.C18H20FN9O8P2S2.C18H21N9O8P2S2/c1-9-11-5-34-38(31,40)33-4-3-28-12(27-13-16(21)22-7-23-17(13)28)6-35-39(32,41)37-15(9)20(36-11)29-8-24-14-18(29)25-10(2)26-19(14)30;1-8-25-16-13(17(32)26-8)28-29-31(16)18-14-12(20)10(38-18)3-35-40(33,42)37-6-19(21,22)5-30-11(4-36-41(34,43)39-14)27-9-2-23-7-24-15(9)30;1-8-22-16-13(17(29)23-8)25-26-28(16)18-14-12(19)10(35-18)5-33-37(30,39)32-3-2-27-11(6-34-38(31,40)36-14)24-9-4-20-7-21-15(9)27;1-9-21-16-14(17(28)22-9)24-25-27(16)18-12-4-10(34-18)6-32-36(29,38)31-3-2-26-13(7-33-37(30,39)35-12)23-11-5-19-8-20-15(11)26/h7-9,11,15,20H,3-6H2,1-2H3,(H,31,40)(H,32,41)(H2,21,22,23)(H,25,26,30);2,7,10,12,14,18H,3-6H2,1H3,(H,33,42)(H,34,43)(H,25,26,32);4,7,10,12,14,18H,2-3,5-6H2,1H3,(H,30,39)(H,31,40)(H,22,23,29);5,8,10,12,18H,2-4,6-7H2,1H3,(H,29,38)(H,30,39)(H,21,22,28)/t9-,11-,15-,20-,38?,39?;10-,12-,14-,18-,40?,41?;10-,12+,14-,18-,37?,38?;10-,12+,18+,36?,37?/m1110/s1
• InChIKey: UDAOOCLABBNNFA-MAOGQMHJSA-N
• XLogP: 3.12
• TPSA: 836.65 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 64
• Rotatable Bonds: 4
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2584.05
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	64

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-[(1R,21S,23R,24R)-9-amino-18-hydroxy-24-methyl-3-oxo-3-sulfanyl-18-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]-2-methyl-1H-purin-6-one;3-[(1R,21S,23R)-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[(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]-6H-triazolo[4,5-d]pyrimidin-7-one?

The IUPAC name of 9-[(1R,21S,23R,24R)-9-amino-18-hydroxy-24-methyl-3-oxo-3-sulfanyl-18-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]-2-methyl-1H-purin-6-one;3-[(1R,21S,23R)-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[(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]-6H-triazolo[4,5-d]pyrimidin-7-one (CID 163993916) is 9-[(1R,21S,23R,24R)-9-amino-18-hydroxy-24-methyl-3-oxo-3-sulfanyl-18-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]-2-methyl-1H-purin-6-one;3-[(1R,21S,23R)-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[(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]-6H-triazolo[4,5-d]pyrimidin-7-one.

What is the SMILES notation for 9-[(1R,21S,23R,24R)-9-amino-18-hydroxy-24-methyl-3-oxo-3-sulfanyl-18-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]-2-methyl-1H-purin-6-one;3-[(1R,21S,23R)-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[(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]-6H-triazolo[4,5-d]pyrimidin-7-one?

The canonical SMILES for 9-[(1R,21S,23R,24R)-9-amino-18-hydroxy-24-methyl-3-oxo-3-sulfanyl-18-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]-2-methyl-1H-purin-6-one;3-[(1R,21S,23R)-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[(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]-6H-triazolo[4,5-d]pyrimidin-7-one is Cc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)OCCn4c(nc5c(N)ncnc54)COP(=O)(S)O[C@@H]2[C@@H]3C)c(=O)[nH]1.Cc1nc2c(nnn2[C@@H]2O[C@@H]3COP(O)(=S)OCC(F)(F)Cn4c(nc5cncnc54)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(nc5cncnc54)COP(O)(=S)O[C@@H]2C3)c(=O)[nH]1.Cc1nc2c(nnn2[C@@H]2O[C@@H]3COP(O)(=S)OCCn4c(nc5cncnc54)COP(O)(=S)O[C@@H]2[C@H]3F)c(=O)[nH]1.

What is the InChIKey of 9-[(1R,21S,23R,24R)-9-amino-18-hydroxy-24-methyl-3-oxo-3-sulfanyl-18-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]-2-methyl-1H-purin-6-one;3-[(1R,21S,23R)-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[(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]-6H-triazolo[4,5-d]pyrimidin-7-one?

The InChIKey is UDAOOCLABBNNFA-MAOGQMHJSA-N. The full InChI is InChI=1S/C20H25N9O8P2S2.C19H20F3N9O8P2S2.C18H20FN9O8P2S2.C18H21N9O8P2S2/c1-9-11-5-34-38(31,40)33-4-3-28-12(27-13-16(21)22-7-23-17(13)28)6-35-39(32,41)37-15(9)20(36-11)29-8-24-14-18(29)25-10(2)26-19(14)30;1-8-25-16-13(17(32)26-8)28-29-31(16)18-14-12(20)10(38-18)3-35-40(33,42)37-6-19(21,22)5-30-11(4-36-41(34,43)39-14)27-9-2-23-7-24-15(9)30;1-8-22-16-13(17(29)23-8)25-26-28(16)18-14-12(19)10(35-18)5-33-37(30,39)32-3-2-27-11(6-34-38(31,40)36-14)24-9-4-20-7-21-15(9)27;1-9-21-16-14(17(28)22-9)24-25-27(16)18-12-4-10(34-18)6-32-36(29,38)31-3-2-26-13(7-33-37(30,39)35-12)23-11-5-19-8-20-15(11)26/h7-9,11,15,20H,3-6H2,1-2H3,(H,31,40)(H,32,41)(H2,21,22,23)(H,25,26,30);2,7,10,12,14,18H,3-6H2,1H3,(H,33,42)(H,34,43)(H,25,26,32);4,7,10,12,14,18H,2-3,5-6H2,1H3,(H,30,39)(H,31,40)(H,22,23,29);5,8,10,12,18H,2-4,6-7H2,1H3,(H,29,38)(H,30,39)(H,21,22,28)/t9-,11-,15-,20-,38?,39?;10-,12-,14-,18-,40?,41?;10-,12+,14-,18-,37?,38?;10-,12+,18+,36?,37?/m1110/s1.

What are the key properties of 9-[(1R,21S,23R,24R)-9-amino-18-hydroxy-24-methyl-3-oxo-3-sulfanyl-18-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]-2-methyl-1H-purin-6-one;3-[(1R,21S,23R)-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[(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]-6H-triazolo[4,5-d]pyrimidin-7-one?

9-[(1R,21S,23R,24R)-9-amino-18-hydroxy-24-methyl-3-oxo-3-sulfanyl-18-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]-2-methyl-1H-purin-6-one;3-[(1R,21S,23R)-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[(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]-6H-triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 2584.05 g/mol, XLogP of 3.12, 4 rotatable bonds, 13 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(1R,21S,23R,24R)-9-amino-18-hydroxy-24-methyl-3-oxo-3-sulfanyl-18-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]-2-methyl-1H-purin-6-one;3-[(1R,21S,23R)-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-[(1S,21R,23R,24S)-24-fluoro-3,18-dihydroxy-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]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[(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]-6H-triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 163993916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).