Basic information
- CAS
4671-76-5- Standard SMILES
O=c1cc(P(=O)(O)O)[nH]c(=O)[nH]1- InChIKey
DJLNMJXRNSBBLY-UHFFFAOYSA-N- Molecular formula
- C4H5N2O5P
- Average molar mass
- 192.07 g/mol
- Monoisotopic mass
- 191.99360826
Names & identifiers
- Preferred name
- 2,6-Dihydroxy-4-pyrimidinylphosphonic acid
- IUPAC
- (2,4-dioxo-1H-pyrimidin-6-yl)phosphonic acid
Names & synonyms
NSC6270802,6-Dihydroxy-4-pyrimidinylphosphonic acidSCHEMBL1521152(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)phosphonic acidDTXSID901181735NSC-6270804671-76-5(2,6-dihydroxypyrimidin-4-yl)phosphonic acidP-(1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinyl)phosphonic acid
Database identifiers
- CAS
4671-76-5- PubChem CID
- 362802
- DTXSID
DTXSID901181735
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…