3-Hydroxyvalproic acid
Basic information
- CAS
58888-84-9- Standard SMILES
CCCC(C(=O)O)C(O)CC- InChIKey
LLPFTSMZBSRZDV-UHFFFAOYSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Overview
3-Hydroxyvalproic acid is a hydroxy fatty acid.
Names & identifiers
- Preferred name
- 3-Hydroxyvalproic acid
- IUPAC
- 3-hydroxy-2-propylpentanoic acid
- English name
- 2-Propyl-3-hydroxypentanoic acid
- Molecular formula
- C8H16O3
- Molecular weight
- 160.21
Names & synonyms
3-Hydroxy-2-propylpentanoic acid3-Hydroxyvalproic acid58888-84-92-Propyl-3-hydroxypentanoic acid3-OH-VPA2-n-Propyl-3-hydroxypentanoic acid3-Hydroxy-valproic acidCW51396YVPDTXSID10974384RefChem:1068031DTXCID3014018123-Hydroxy Valproic Acid
Show more names
3-Hydroxyvalporic acid2-Propyl-3-hydroxyvaleric acid3-Hydroxy Valproic Acid (Mixture of Diastereomers)
Pentanoic acid, 3-hydroxy-2-propyl-Valproic Acid Impurity 39UNII-CW51396YVPorb3136008SCHEMBL10007933-Hydroxy-2-propylpentanoicacidCHEMBL3706502CHEBI:80637
Database identifiers
- CAS
58888-84-9- PubChem CID
- 134459
- DTXSID
DTXSID10974384- ChEMBL
CHEMBL3706502- ChEBI
CHEBI:80637- UNII
- CW51396YVP
- Nikkaji
- J362.522B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Valproic acid
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physicochemical properties
- Boiling point
- 280.7 · 280.7±23.0 °C(Predicted)
- Density
- 1.043 · 1.043±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.43 · 4.43±0.40(Predicted)
- color
- Off-White to Yellow
- FDA UNII
- 51396 YVP · CW51396YVP
Chemistry & industry
Pharmacology
Metabolism/Metabolites3-Hydroxyvalproate is a known human metabolite of valproic acid.
Tissue LocationsKidney
Cellular LocationsExtracellular
Metabolite PathwaysValproic Acid Metabolism Pathway
Applications
UsesA metabolite of Valproic Acid.
Additional notes
DefinitionChEBI: 3-Hydroxyvalproic acid is a hydroxy fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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