Basic information
- CAS
90389-09-6- Standard SMILES
O=c1ccn(C2OC(CO)C(OP(=O)(O)O)C2O)c(=O)[nH]1- InChIKey
FOGRQMPFHUHIGU-UHFFFAOYSA-N- Molecular formula
- C9H13N2O9P
- Average molar mass
- 324.18 g/mol
- Monoisotopic mass
- 324.03586699
Overview
4-Hydroxy-1-(3-O-phosphonopentofuranosyl)pyrimidin-2(1H)-one has been reported in Homo sapiens with data available.
Names & identifiers
- Preferred name
- 4-Hydroxy-1-(3-O-phosphonopentofuranosyl)pyrimidin-2(1H)-one
- IUPAC
- [5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Names & synonyms
4-Hydroxy-1-(3-O-phosphonopentofuranosyl)pyrimidin-2(1H)-oneSCHEMBL30586905DTXSID70920423NS00041108
Database identifiers
- CAS
90389-09-6- PubChem CID
- 5643
- DTXSID
DTXSID70920423
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…