4-[[(2R,3S,4S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxybutanoic acid
Basic information
- CAS
89142-98-3- Standard SMILES
Nc1ccn(C2O[C@H](COP(=O)(O)OCCCC(=O)O)[C@@H](O)[C@@H]2O)c(=O)n1- InChIKey
VDDNHRUWCIDRKL-FBWFMTOQSA-N- Molecular formula
- C13H20N3O10P
- Average molar mass
- 409.29 g/mol
- Monoisotopic mass
- 409.08863084
Names & identifiers
- Preferred name
- 4-[[(2R,3S,4S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxybutanoic acid
- IUPAC
- 4-[[(2R,3S,4S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxybutanoic acid
Names & synonyms
1-{5-O-[(3-Carboxypropoxy)(hydroxy)phosphoryl]pentofuranosyl}-4-imino-1,4-dihydropyrimidin-2-olDTXSID2010086694-[[(2R,3S,4S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxybutanoic acid1-{5-O-[(3-Carboxypropoxy)(hydroxy)phosphoryl]-D-arabinofuranosyl}-4-imino-1,4-dihydropyrimidin-2-ol
Database identifiers
- CAS
89142-98-3- PubChem CID
- 84074
- DTXSID
DTXSID201008669
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 683
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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