Basic information
- CAS
19730-77-9- Standard SMILES
Cc1ncc(/C=C/P(=O)(O)O)c(CO)c1O- InChIKey
DEAVFBYTYRIWQV-NSCUHMNNSA-N- Molecular formula
- C9H12NO5P
- Average molar mass
- 245.17 g/mol
- Monoisotopic mass
- 245.04530948
Names & identifiers
- Preferred name
- (2-(5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl)vinyl)phosphonic acid
- IUPAC
- [(E)-2-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]ethenyl]phosphonic acid
Names & synonyms
CHEMBL342737119730-77-9(2-(5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl)vinyl)phosphonic acidNSC124469BDBM50084933NSC-124469
Database identifiers
- CAS
19730-77-9- PubChem CID
- 5777580
- ChEMBL
CHEMBL3427371
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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