Basic information
- Standard SMILES
Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1- InChIKey
ZWIADYZPOWUWEW-UHFFFAOYSA-N- Molecular formula
- C9H15N3O11P2
- Average molar mass
- 403.18 g/mol
- Monoisotopic mass
- 403.0181823
Overview
4-Amino-1-{5-o-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}pyrimidin-2(1h)-one has been reported in Homo sapiens with data available.
Names & identifiers
- Preferred name
- 4-Amino-1-{5-o-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}pyrimidin-2(1h)-one
- IUPAC
- [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Names & synonyms
4-amino-1-{5-o-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}pyrimidin-2(1h)-one[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate4-Amino-1-(5-o-(hydroxy(phosphonooxy)phosphoryl)pentofuranosyl)pyrimidin-2(1h)-one(5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl phosphono hydrogen phosphateRefChem:289717(5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphateSCHEMBL18785150DTXSID30861606NS00041341[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Database identifiers
- PubChem CID
- 290
- DTXSID
DTXSID30861606
Properties
Computed structural properties
- XLogP
- -4.5
- Topological polar surface area
- 222 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 690
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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