4-amino-1-[(2R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;aminophosphonous acid

C9H18N5O6P — CID 70228912

About 4-amino-1-[(2R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;aminophosphonous acid

4-amino-1-[(2R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;aminophosphonous acid (PubChem CID 70228912) has the molecular formula C9H18N5O6P and a molecular weight of 323.25 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;aminophosphonous acid.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;aminophosphonous acid
• PubChem CID: 70228912
• Molecular Formula: C9H18N5O6P
• Molecular Weight: 323.25 g/mol
• Exact Mass: 323.10
• IUPAC Name: 4-amino-1-[(2R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;aminophosphonous acid
• SMILES: NP(O)O.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2N)c(=O)n1
• InChI: InChI=1S/C9H14N4O4.H4NO2P/c10-5-1-2-13(9(16)12-5)8-6(11)7(15)4(3-14)17-8;1-4(2)3/h1-2,4,6-8,14-15H,3,11H2,(H2,10,12,16);2-3H,1H2/t4-,6?,7-,8-;/m1./s1
• InChIKey: LTZHAOHMUJKJDZ-NPHBBYDYSA-N
• XLogP: -3.44
• TPSA: 203.10 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	323.25
LogP ≤ 5	-3.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;aminophosphonous acid?

The IUPAC name of 4-amino-1-[(2R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;aminophosphonous acid (CID 70228912) is 4-amino-1-[(2R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;aminophosphonous acid.

What is the SMILES notation for 4-amino-1-[(2R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;aminophosphonous acid?

The canonical SMILES for 4-amino-1-[(2R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;aminophosphonous acid is NP(O)O.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2N)c(=O)n1.

What is the InChIKey of 4-amino-1-[(2R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;aminophosphonous acid?

The InChIKey is LTZHAOHMUJKJDZ-NPHBBYDYSA-N. The full InChI is InChI=1S/C9H14N4O4.H4NO2P/c10-5-1-2-13(9(16)12-5)8-6(11)7(15)4(3-14)17-8;1-4(2)3/h1-2,4,6-8,14-15H,3,11H2,(H2,10,12,16);2-3H,1H2/t4-,6?,7-,8-;/m1./s1.

What are the key properties of 4-amino-1-[(2R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;aminophosphonous acid?

4-amino-1-[(2R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;aminophosphonous acid has a molecular weight of 323.25 g/mol, XLogP of -3.44, 2 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;aminophosphonous acid is sourced from PubChem (CID 70228912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).