Basic information
- CAS
32453-95-5- Standard SMILES
Cc1ncc(CCP(=O)(O)O)c(C)c1O- InChIKey
NNGJPVFQBGMJTQ-UHFFFAOYSA-N- Molecular formula
- C9H14NO4P
- Average molar mass
- 231.19 g/mol
- Monoisotopic mass
- 231.06604493
Overview
phosphonic acid analog of pyridoxal phosphate; structure
Names & identifiers
- Preferred name
- Pyridoxal phosphonate
- IUPAC
- 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)ethylphosphonic acid
Names & synonyms
Pyridoxal phosphonate4-Desoxypyridoxine phosphonate32453-95-5HF5ER5D6LFNSC-134709DTXSID00186191Phosphonic acid, (2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)ethyl)-RefChem:177718DTXCID101086822-(5-hydroxy-4,6-dimethylpyridin-3-yl)ethylphosphonic acid(2-(5-Hydroxy-4,6-dimethyl-3-pyridyl)ethyl)phosphonic acid[2-(5-hydroxy-4,6-dimethylpyridin-3-yl)ethyl]phosphonic acid
Show more names
NSC 134709UNII-HF5ER5D6LFNSC134709
Database identifiers
- CAS
32453-95-5- PubChem CID
- 97593
- DTXSID
DTXSID00186191- UNII
- HF5ER5D6LF
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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