Basic information
- Standard SMILES
O=c1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1- InChIKey
QHWZTVCCBMIIKE-UHFFFAOYSA-N- Molecular formula
- C9H14N2O11P2
- Average molar mass
- 388.16 g/mol
- Monoisotopic mass
- 388.00728326
Overview
1-{2-Deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}pyrimidine-2,4(1H,3H)-dione has been reported in Homo sapiens and Escherichia coli with data available.
Names & identifiers
- Preferred name
- 1-{2-Deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}pyrimidine-2,4(1H,3H)-dione
- IUPAC
- [5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Names & synonyms
[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate1-{2-Deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}pyrimidine-2,4(1H,3H)-dione(5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl)methyl phosphono hydrogen phosphate1-(2-Deoxy-5-O-(hydroxy(phosphonooxy)phosphoryl)pentofuranosyl)pyrimidine-2,4(1H,3H)-dioneRefChem:223414SCHEMBL30305608DTXSID90863343
Database identifiers
- PubChem CID
- 687
- DTXSID
DTXSID90863343
Properties
Computed structural properties
- XLogP
- -4.4
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 645
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…