Basic information
- CAS
25956-55-2- Standard SMILES
C/C=C(\OP(=O)(O)O)C(=O)O- InChIKey
FGYIHYXZLMDROB-UHFFFAOYSA-N- Molecular formula
- C4H7O6P
- Average molar mass
- 182.07 g/mol
- Monoisotopic mass
- 181.99802494
Overview
RN given refers to parent acid; structure
Names & identifiers
- Preferred name
- Phosphoenol-2-ketobutyrate
- IUPAC
- (Z)-2-phosphonooxybut-2-enoic acid
- English name
- phosphoenol-2-ketobutyrate
- Molecular formula
- C4H7O6P
- Molecular weight
- 182.07
Names & synonyms
2-PhosphoenolbutyratePhosphoenol-2-ketobutyrate2-PEBPhosphoenol-alpha-ketobutyrate25956-55-2RefChem:1735622-Butenoic acid, 2-(phosphonooxy)-(Z)-2-phosphonooxybut-2-enoic acidPEZ
Database identifiers
- CAS
25956-55-2- PubChem CID
- 447809
- Nikkaji
- J711.241F
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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