[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl [(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate

C59H75F4N24O32P3 — CID 161415474

About [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl [(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate

[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl [(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate (PubChem CID 161415474) has the molecular formula C59H75F4N24O32P3 and a molecular weight of 1801.30 g/mol. Its IUPAC name is [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl [(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl [(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate
• PubChem CID: 161415474
• Molecular Formula: C59H75F4N24O32P3
• Molecular Weight: 1801.30 g/mol
• Exact Mass: 1800.41
• IUPAC Name: [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl [(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate
• SMILES: CO[C@H]1C(O)[C@@H](COP(=O)(O)OC2[C@@H](CO)O[C@@H](n3cnc4c(=O)[nH]c(C)nc43)[C@H]2OC)O[C@H]1n1cnc(N)nc1=O.Cc1nc2c(ncn2[C@@H]2O[C@H](CO)C(OP(=O)(O)OC[C@H]3O[C@@H](n4cnc(N)nc4=O)[C@@H](F)C3O)[C@@H]2F)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OC3[C@@H](CO)O[C@@H](n4cnc(N)nc4=O)[C@H]3F)C(O)[C@@H]2F)c(=O)[nH]1
• InChI: InChI=1S/C21H29N8O12P.2C19H23F2N8O10P/c1-8-25-16-11(17(32)26-8)23-6-28(16)19-15(37-3)13(9(4-30)39-19)41-42(34,35)38-5-10-12(31)14(36-2)18(40-10)29-7-24-20(22)27-21(29)33;1-6-25-14-11(15(32)26-6)23-4-28(14)17-10(21)13(7(2-30)37-17)39-40(34,35)36-3-8-12(31)9(20)16(38-8)29-5-24-18(22)27-19(29)33;1-6-25-14-11(15(32)26-6)23-4-28(14)16-9(20)12(31)8(38-16)3-36-40(34,35)39-13-7(2-30)37-17(10(13)21)29-5-24-18(22)27-19(29)33/h6-7,9-10,12-15,18-19,30-31H,4-5H2,1-3H3,(H,34,35)(H2,22,27,33)(H,25,26,32);2*4-5,7-10,12-13,16-17,30-31H,2-3H2,1H3,(H,34,35)(H2,22,27,33)(H,25,26,32)/t9-,10-,12?,13?,14+,15+,18-,19-;2*7-,8-,9+,10+,12?,13?,16-,17-/m111/s1
• InChIKey: VWAJMYDEFAAAIH-SEDMECOTSA-N
• XLogP: -6.68
• TPSA: 774.61 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 50
• Rotatable Bonds: 26
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1801.30
LogP ≤ 5	-6.68
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl [(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate?

The IUPAC name of [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl [(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate (CID 161415474) is [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl [(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate.

What is the SMILES notation for [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl [(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate?

The canonical SMILES for [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl [(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate is CO[C@H]1C(O)[C@@H](COP(=O)(O)OC2[C@@H](CO)O[C@@H](n3cnc4c(=O)[nH]c(C)nc43)[C@H]2OC)O[C@H]1n1cnc(N)nc1=O.Cc1nc2c(ncn2[C@@H]2O[C@H](CO)C(OP(=O)(O)OC[C@H]3O[C@@H](n4cnc(N)nc4=O)[C@@H](F)C3O)[C@@H]2F)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OC3[C@@H](CO)O[C@@H](n4cnc(N)nc4=O)[C@H]3F)C(O)[C@@H]2F)c(=O)[nH]1.

What is the InChIKey of [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl [(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate?

The InChIKey is VWAJMYDEFAAAIH-SEDMECOTSA-N. The full InChI is InChI=1S/C21H29N8O12P.2C19H23F2N8O10P/c1-8-25-16-11(17(32)26-8)23-6-28(16)19-15(37-3)13(9(4-30)39-19)41-42(34,35)38-5-10-12(31)14(36-2)18(40-10)29-7-24-20(22)27-21(29)33;1-6-25-14-11(15(32)26-6)23-4-28(14)17-10(21)13(7(2-30)37-17)39-40(34,35)36-3-8-12(31)9(20)16(38-8)29-5-24-18(22)27-19(29)33;1-6-25-14-11(15(32)26-6)23-4-28(14)16-9(20)12(31)8(38-16)3-36-40(34,35)39-13-7(2-30)37-17(10(13)21)29-5-24-18(22)27-19(29)33/h6-7,9-10,12-15,18-19,30-31H,4-5H2,1-3H3,(H,34,35)(H2,22,27,33)(H,25,26,32);2*4-5,7-10,12-13,16-17,30-31H,2-3H2,1H3,(H,34,35)(H2,22,27,33)(H,25,26,32)/t9-,10-,12?,13?,14+,15+,18-,19-;2*7-,8-,9+,10+,12?,13?,16-,17-/m111/s1.

What are the key properties of [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl [(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate?

[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl [(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate has a molecular weight of 1801.30 g/mol, XLogP of -6.68, 26 rotatable bonds, 15 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl [(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate is sourced from PubChem (CID 161415474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).