aminophosphonous acid;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione

C10H19N4O7P — CID 67742866

About aminophosphonous acid;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione

aminophosphonous acid;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione (PubChem CID 67742866) has the molecular formula C10H19N4O7P and a molecular weight of 338.26 g/mol. Its IUPAC name is aminophosphonous acid;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: aminophosphonous acid;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione
• PubChem CID: 67742866
• Molecular Formula: C10H19N4O7P
• Molecular Weight: 338.26 g/mol
• Exact Mass: 338.10
• IUPAC Name: aminophosphonous acid;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione
• SMILES: CNc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O.NP(O)O
• InChI: InChI=1S/C10H15N3O5.H4NO2P/c1-11-5-3-13(10(17)12-9(5)16)8-2-6(15)7(4-14)18-8;1-4(2)3/h3,6-8,11,14-15H,2,4H2,1H3,(H,12,16,17);2-3H,1H2/t6-,7+,8+;/m0./s1
• InChIKey: CNSHIZDRNLGKOE-HNPMAXIBSA-N
• XLogP: -2.62
• TPSA: 183.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	338.26
LogP ≤ 5	-2.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of aminophosphonous acid;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione?

The IUPAC name of aminophosphonous acid;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione (CID 67742866) is aminophosphonous acid;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione.

What is the SMILES notation for aminophosphonous acid;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione?

The canonical SMILES for aminophosphonous acid;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione is CNc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O.NP(O)O.

What is the InChIKey of aminophosphonous acid;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione?

The InChIKey is CNSHIZDRNLGKOE-HNPMAXIBSA-N. The full InChI is InChI=1S/C10H15N3O5.H4NO2P/c1-11-5-3-13(10(17)12-9(5)16)8-2-6(15)7(4-14)18-8;1-4(2)3/h3,6-8,11,14-15H,2,4H2,1H3,(H,12,16,17);2-3H,1H2/t6-,7+,8+;/m0./s1.

What are the key properties of aminophosphonous acid;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione?

aminophosphonous acid;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione has a molecular weight of 338.26 g/mol, XLogP of -2.62, 3 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for aminophosphonous acid;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 67742866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).