[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-ethoxyoxolan-2-yl]methyl [(2R,3R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,3R,5R)-3-ethoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;9-[(2R,4R,5R)-4-[[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-ethyloxolan-2-yl]-2-methyl-1H-purin-6-one

C66H93N24O26P3 — CID 161461860

About [(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-ethoxyoxolan-2-yl]methyl [(2R,3R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,3R,5R)-3-ethoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;9-[(2R,4R,5R)-4-[[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-ethyloxolan-2-yl]-2-methyl-1H-purin-6-one

[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-ethoxyoxolan-2-yl]methyl [(2R,3R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,3R,5R)-3-ethoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;9-[(2R,4R,5R)-4-[[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-ethyloxolan-2-yl]-2-methyl-1H-purin-6-one (PubChem CID 161461860) has the molecular formula C66H93N24O26P3 and a molecular weight of 1731.53 g/mol. Its IUPAC name is [(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-ethoxyoxolan-2-yl]methyl [(2R,3R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,3R,5R)-3-ethoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;9-[(2R,4R,5R)-4-[[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-ethyloxolan-2-yl]-2-methyl-1H-purin-6-one.

Molecular Properties

• Compound Name: [(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-ethoxyoxolan-2-yl]methyl [(2R,3R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,3R,5R)-3-ethoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;9-[(2R,4R,5R)-4-[[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-ethyloxolan-2-yl]-2-methyl-1H-purin-6-one
• PubChem CID: 161461860
• Molecular Formula: C66H93N24O26P3
• Molecular Weight: 1731.53 g/mol
• Exact Mass: 1730.59
• IUPAC Name: [(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-ethoxyoxolan-2-yl]methyl [(2R,3R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,3R,5R)-3-ethoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;9-[(2R,4R,5R)-4-[[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-ethyloxolan-2-yl]-2-methyl-1H-purin-6-one
• SMILES: CCO[C@@H]1C[C@H](n2cnc(N)nc2=O)O[C@@H]1COP(=O)(O)O[C@@H]1C[C@H](n2cnc3c(=O)[nH]c(C)nc32)O[C@@H]1CC.CCO[C@@H]1C[C@H](n2cnc3c(=O)[nH]c(C)nc32)O[C@@H]1COP(=O)(O)O[C@@H]1C[C@H](n2cnc(N)nc2=O)O[C@@H]1CC.CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)C[C@H]1OP(C)(=O)OC[C@H]1O[C@@H](n2cnc(N)nc2=O)C[C@H]1OC
• InChI: InChI=1S/2C22H31N8O9P.C22H31N8O8P/c1-4-12-14(7-16(37-12)29-9-24-18-19(29)26-11(3)27-20(18)31)39-40(33,34)36-8-15-13(35-5-2)6-17(38-15)30-10-25-21(23)28-22(30)32;1-4-12-14(7-17(37-12)30-10-25-21(23)28-22(30)32)39-40(33,34)36-8-15-13(35-5-2)6-16(38-15)29-9-24-18-19(29)26-11(3)27-20(18)31;1-5-12-14(7-16(36-12)29-9-24-18-19(29)26-11(2)27-20(18)31)38-39(4,33)35-8-15-13(34-3)6-17(37-15)30-10-25-21(23)28-22(30)32/h2*9-10,12-17H,4-8H2,1-3H3,(H,33,34)(H2,23,28,32)(H,26,27,31);9-10,12-17H,5-8H2,1-4H3,(H2,23,28,32)(H,26,27,31)/t2*12-,13-,14-,15-,16-,17-;12-,13-,14-,15-,16-,17-,39?/m111/s1
• InChIKey: WBXNOBOYNCFFLO-NIFXSDOKSA-N
• XLogP: 2.00
• TPSA: 642.23 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 45
• Rotatable Bonds: 29
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1731.53
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-ethoxyoxolan-2-yl]methyl [(2R,3R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,3R,5R)-3-ethoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;9-[(2R,4R,5R)-4-[[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-ethyloxolan-2-yl]-2-methyl-1H-purin-6-one?

The IUPAC name of [(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-ethoxyoxolan-2-yl]methyl [(2R,3R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,3R,5R)-3-ethoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;9-[(2R,4R,5R)-4-[[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-ethyloxolan-2-yl]-2-methyl-1H-purin-6-one (CID 161461860) is [(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-ethoxyoxolan-2-yl]methyl [(2R,3R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,3R,5R)-3-ethoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;9-[(2R,4R,5R)-4-[[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-ethyloxolan-2-yl]-2-methyl-1H-purin-6-one.

What is the SMILES notation for [(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-ethoxyoxolan-2-yl]methyl [(2R,3R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,3R,5R)-3-ethoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;9-[(2R,4R,5R)-4-[[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-ethyloxolan-2-yl]-2-methyl-1H-purin-6-one?

The canonical SMILES for [(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-ethoxyoxolan-2-yl]methyl [(2R,3R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,3R,5R)-3-ethoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;9-[(2R,4R,5R)-4-[[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-ethyloxolan-2-yl]-2-methyl-1H-purin-6-one is CCO[C@@H]1C[C@H](n2cnc(N)nc2=O)O[C@@H]1COP(=O)(O)O[C@@H]1C[C@H](n2cnc3c(=O)[nH]c(C)nc32)O[C@@H]1CC.CCO[C@@H]1C[C@H](n2cnc3c(=O)[nH]c(C)nc32)O[C@@H]1COP(=O)(O)O[C@@H]1C[C@H](n2cnc(N)nc2=O)O[C@@H]1CC.CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)C[C@H]1OP(C)(=O)OC[C@H]1O[C@@H](n2cnc(N)nc2=O)C[C@H]1OC.

What is the InChIKey of [(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-ethoxyoxolan-2-yl]methyl [(2R,3R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,3R,5R)-3-ethoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;9-[(2R,4R,5R)-4-[[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-ethyloxolan-2-yl]-2-methyl-1H-purin-6-one?

The InChIKey is WBXNOBOYNCFFLO-NIFXSDOKSA-N. The full InChI is InChI=1S/2C22H31N8O9P.C22H31N8O8P/c1-4-12-14(7-16(37-12)29-9-24-18-19(29)26-11(3)27-20(18)31)39-40(33,34)36-8-15-13(35-5-2)6-17(38-15)30-10-25-21(23)28-22(30)32;1-4-12-14(7-17(37-12)30-10-25-21(23)28-22(30)32)39-40(33,34)36-8-15-13(35-5-2)6-16(38-15)29-9-24-18-19(29)26-11(3)27-20(18)31;1-5-12-14(7-16(36-12)29-9-24-18-19(29)26-11(2)27-20(18)31)38-39(4,33)35-8-15-13(34-3)6-17(37-15)30-10-25-21(23)28-22(30)32/h2*9-10,12-17H,4-8H2,1-3H3,(H,33,34)(H2,23,28,32)(H,26,27,31);9-10,12-17H,5-8H2,1-4H3,(H2,23,28,32)(H,26,27,31)/t2*12-,13-,14-,15-,16-,17-;12-,13-,14-,15-,16-,17-,39?/m111/s1.

What are the key properties of [(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-ethoxyoxolan-2-yl]methyl [(2R,3R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,3R,5R)-3-ethoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;9-[(2R,4R,5R)-4-[[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-ethyloxolan-2-yl]-2-methyl-1H-purin-6-one?

[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-ethoxyoxolan-2-yl]methyl [(2R,3R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,3R,5R)-3-ethoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;9-[(2R,4R,5R)-4-[[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-ethyloxolan-2-yl]-2-methyl-1H-purin-6-one has a molecular weight of 1731.53 g/mol, XLogP of 2.00, 29 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-ethoxyoxolan-2-yl]methyl [(2R,3R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,3R,5R)-3-ethoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate;9-[(2R,4R,5R)-4-[[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-ethyloxolan-2-yl]-2-methyl-1H-purin-6-one is sourced from PubChem (CID 161461860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).