Basic information
- Standard SMILES
CC(O)C(=O)[O-].CC(O)CC(=O)[O-].O=C([O-])CCCO.O=C([O-])CCO- InChIKey
KVYVPUAHCPMGLD-UHFFFAOYSA-J- Molecular formula
- C14H24O12-4
- Average molar mass
- 384.33 g/mol
Names & identifiers
- Preferred name
- 3-Hydroxybutyrate 3-hyroxypropionate 4-hydroxybutyrate lactate
- IUPAC
- 3-hydroxybutanoate;4-hydroxybutanoate;2-hydroxypropanoate;3-hydroxypropanoate
Names & synonyms
KVYVPUAHCPMGLD-UHFFFAOYSA-J3 hydroxybutyrate 3-hydroxypropionate 4-hydroxybutyrate lactate3-hydroxybutyrate 3-hyroxypropionate 4-hydroxybutyrate lactate
Database identifiers
- PubChem CID
- 86645089
Properties
Computed structural properties
- Topological polar surface area
- 241 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- -4
- Complexity
- 216
Related reactions
1 records
Compound notes
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