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

C65H91N24O36P3 — CID 161192997

About [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-ethoxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-ethoxy-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)-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)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,4S,5R)-3-hydroxy-4-methoxy-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-ethoxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-ethoxy-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)-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)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,4S,5R)-3-hydroxy-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate (PubChem CID 161192997) has the molecular formula C65H91N24O36P3 and a molecular weight of 1877.50 g/mol. Its IUPAC name is [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-ethoxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-ethoxy-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)-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)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,4S,5R)-3-hydroxy-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-ethoxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-ethoxy-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)-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)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,4S,5R)-3-hydroxy-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
• PubChem CID: 161192997
• Molecular Formula: C65H91N24O36P3
• Molecular Weight: 1877.50 g/mol
• Exact Mass: 1876.52
• IUPAC Name: [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-ethoxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-ethoxy-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)-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)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,4S,5R)-3-hydroxy-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
• SMILES: CCO[C@H]1C(OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(C)nc43)[C@@H](OCC)C2O)[C@@H](CO)O[C@H]1n1cnc(N)nc1=O.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.CO[C@H]1C(OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(C)nc43)[C@@H](OC)C2O)[C@@H](CO)O[C@H]1n1cnc(N)nc1=O
• InChI: InChI=1S/C23H33N8O12P.2C21H29N8O12P/c1-4-38-16-14(33)12(42-20(16)30-8-25-13-18(30)27-10(3)28-19(13)34)7-40-44(36,37)43-15-11(6-32)41-21(17(15)39-5-2)31-9-26-22(24)29-23(31)35;1-8-25-16-11(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;1-8-25-16-11(17(32)26-8)23-6-28(16)18-14(36-2)12(31)10(40-18)5-38-42(34,35)41-13-9(4-30)39-19(15(13)37-3)29-7-24-20(22)27-21(29)33/h8-9,11-12,14-17,20-21,32-33H,4-7H2,1-3H3,(H,36,37)(H2,24,29,35)(H,27,28,34);2*6-7,9-10,12-15,18-19,30-31H,4-5H2,1-3H3,(H,34,35)(H2,22,27,33)(H,25,26,32)/t11-,12-,14?,15?,16+,17+,20-,21-;2*9-,10-,12?,13?,14+,15+,18-,19-/m111/s1
• InChIKey: UTYYMOXLMSHMQP-KDHZKAEGSA-N
• XLogP: -7.19
• TPSA: 811.53 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 54
• Rotatable Bonds: 32
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1877.50
LogP ≤ 5	-7.19
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	54

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-ethoxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-ethoxy-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)-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)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,4S,5R)-3-hydroxy-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate?

The IUPAC name of [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-ethoxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-ethoxy-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)-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)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,4S,5R)-3-hydroxy-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate (CID 161192997) is [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-ethoxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-ethoxy-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)-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)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,4S,5R)-3-hydroxy-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate.

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

The canonical SMILES for [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-ethoxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-ethoxy-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)-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)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,4S,5R)-3-hydroxy-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate is CCO[C@H]1C(OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(C)nc43)[C@@H](OCC)C2O)[C@@H](CO)O[C@H]1n1cnc(N)nc1=O.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.CO[C@H]1C(OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(C)nc43)[C@@H](OC)C2O)[C@@H](CO)O[C@H]1n1cnc(N)nc1=O.

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

The InChIKey is UTYYMOXLMSHMQP-KDHZKAEGSA-N. The full InChI is InChI=1S/C23H33N8O12P.2C21H29N8O12P/c1-4-38-16-14(33)12(42-20(16)30-8-25-13-18(30)27-10(3)28-19(13)34)7-40-44(36,37)43-15-11(6-32)41-21(17(15)39-5-2)31-9-26-22(24)29-23(31)35;1-8-25-16-11(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;1-8-25-16-11(17(32)26-8)23-6-28(16)18-14(36-2)12(31)10(40-18)5-38-42(34,35)41-13-9(4-30)39-19(15(13)37-3)29-7-24-20(22)27-21(29)33/h8-9,11-12,14-17,20-21,32-33H,4-7H2,1-3H3,(H,36,37)(H2,24,29,35)(H,27,28,34);2*6-7,9-10,12-15,18-19,30-31H,4-5H2,1-3H3,(H,34,35)(H2,22,27,33)(H,25,26,32)/t11-,12-,14?,15?,16+,17+,20-,21-;2*9-,10-,12?,13?,14+,15+,18-,19-/m111/s1.

What are the key properties of [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-ethoxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-ethoxy-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)-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)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,4S,5R)-3-hydroxy-4-methoxy-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-ethoxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-ethoxy-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)-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)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,4S,5R)-3-hydroxy-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate has a molecular weight of 1877.50 g/mol, XLogP of -7.19, 32 rotatable bonds, 15 hydrogen bond donors, and 54 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-ethoxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-4-ethoxy-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)-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)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,4S,5R)-3-hydroxy-4-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate is sourced from PubChem (CID 161192997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).