2-amino-9-[(2R,5R)-4-[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

C19H26N9O9P — CID 147551391

About 2-amino-9-[(2R,5R)-4-[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

2-amino-9-[(2R,5R)-4-[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one (PubChem CID 147551391) has the molecular formula C19H26N9O9P and a molecular weight of 555.45 g/mol. Its IUPAC name is 2-amino-9-[(2R,5R)-4-[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one.

Molecular Properties

• Compound Name: 2-amino-9-[(2R,5R)-4-[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
• PubChem CID: 147551391
• Molecular Formula: C19H26N9O9P
• Molecular Weight: 555.45 g/mol
• Exact Mass: 555.16
• IUPAC Name: 2-amino-9-[(2R,5R)-4-[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
• SMILES: CP(=O)(OC[C@H]1O[C@@H](n2cnc(N)nc2=O)CC1O)OC1C[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1CO
• InChI: InChI=1S/C19H26N9O9P/c1-38(33,34-5-11-8(30)2-12(36-11)28-7-23-17(20)26-19(28)32)37-9-3-13(35-10(9)4-29)27-6-22-14-15(27)24-18(21)25-16(14)31/h6-13,29-30H,2-5H2,1H3,(H2,20,26,32)(H3,21,24,25,31)/t8?,9?,10-,11-,12-,13-,38?/m1/s1
• InChIKey: FQVMWVONKMBZHO-QWVXHKJYSA-N
• XLogP: -1.91
• TPSA: 257.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.45
LogP ≤ 5	-1.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2R,5R)-4-[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one?

The IUPAC name of 2-amino-9-[(2R,5R)-4-[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one (CID 147551391) is 2-amino-9-[(2R,5R)-4-[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one.

What is the SMILES notation for 2-amino-9-[(2R,5R)-4-[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one?

The canonical SMILES for 2-amino-9-[(2R,5R)-4-[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one is CP(=O)(OC[C@H]1O[C@@H](n2cnc(N)nc2=O)CC1O)OC1C[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1CO.

What is the InChIKey of 2-amino-9-[(2R,5R)-4-[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one?

The InChIKey is FQVMWVONKMBZHO-QWVXHKJYSA-N. The full InChI is InChI=1S/C19H26N9O9P/c1-38(33,34-5-11-8(30)2-12(36-11)28-7-23-17(20)26-19(28)32)37-9-3-13(35-10(9)4-29)27-6-22-14-15(27)24-18(21)25-16(14)31/h6-13,29-30H,2-5H2,1H3,(H2,20,26,32)(H3,21,24,25,31)/t8?,9?,10-,11-,12-,13-,38?/m1/s1.

What are the key properties of 2-amino-9-[(2R,5R)-4-[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one?

2-amino-9-[(2R,5R)-4-[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one has a molecular weight of 555.45 g/mol, XLogP of -1.91, 8 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[(2R,5R)-4-[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one is sourced from PubChem (CID 147551391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).