Basic information
- CAS
3318-73-8- Standard SMILES
CC(O)CC(=O)C(=O)O- InChIKey
HFKQINMYQUXOCH-UHFFFAOYSA-N- Molecular formula
- C5H8O4
- Average molar mass
- 132.11 g/mol
- Monoisotopic mass
- 132.04225873
Overview
4-hydroxy-2-oxopentanoic acid is a 2-oxo monocarboxylic acid and a 4-hydroxy monocarboxylic acid. It has a role as an Escherichia coli metabolite. It is functionally related to a valeric acid. It is a conjugate acid of a 4-hydroxy-2-oxopentanoate.
Names & identifiers
- Preferred name
- 4-Hydroxy-2-oxopentanoic acid
- IUPAC
- 4-hydroxy-2-oxopentanoic acid
Names & synonyms
4-Hydroxy-2-oxopentanoic acid3318-73-84-Hydroxy-2-oxovalerateQ7M6F8F7B9CHEBI:17655RefChem:9125454-hydroxy-2-oxovaleric acid4-Hydroxy-2-oxovaleric Acid Potassium Saltstarbld0005420UNII-Q7M6F8F7B9SCHEMBL109971orb3179906
Show more names
Pentanoic acid, 4-hydroxy-2-oxo-VALERIC ACID, 4-HYDROXY-2-OXO-C03589Q17119410
Database identifiers
- CAS
3318-73-8- PubChem CID
- 124
- ChEBI
CHEBI:17655- UNII
- Q7M6F8F7B9
- Nikkaji
- J609.509G
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 129
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…