(S)-3-hydroxyisobutyric acid
Basic information
- CAS
26543-05-5- Standard SMILES
C[C@@H](CO)C(=O)O- InChIKey
DBXBTMSZEOQQDU-VKHMYHEASA-N- Molecular formula
- C4H8O3
- Average molar mass
- 104.1 g/mol
- Monoisotopic mass
- 104.04734411
Overview
(S)-3-hydroxyisobutyric acid is a 3-hydroxyisobutyric acid. It is a conjugate acid of a (S)-3-hydroxyisobutyrate.
Names & identifiers
- Preferred name
- (S)-3-hydroxyisobutyric acid
- IUPAC
- (2S)-3-hydroxy-2-methylpropanoic acid
- English name
- (S)-3-HYDROXY-2-METHYL-PROPIONIC ACID
- Molecular formula
- C4H8O3
- Molecular weight
- 104.1
Names & synonyms
26543-05-5(S)-3-hydroxy-2-methylpropanoic acid(S)-3-hydroxyisobutyric acid(2S)-3-hydroxy-2-methylpropanoic acidPropanoic acid, 3-hydroxy-2-methyl-, (2S)-(S)-3-HYDROXY-2-METHYL-PROPIONIC ACIDMFCD08689601(2S)-3-Hydroxy-2-methyl-propanoic acidC28QK3H63P3-Hydroxyisobutyric acid, (S)-Hydracrylic acid, 2-methyl-, L-(+)-(2S)-2-methyl-3-oxidanyl-propanoic acid
Show more names
Sodium (S)-β-hydroxyisobutyrateSodium (S)-3-hydroxy-2-methylpropionate(S)-β-Hydroxy-isobutyric acid sodium salt
3-hydroxy-isobutyrate(S)-3-Hydroxy-2-methylpropionic acid sodium saltSodium (S)-beta-hydroxyisobutyrateHUI(S)-3-hydroxy-2-methylpropanoicacidS-HIBAtube10613-Hydroxy(iso)butyric acid
Database identifiers
- CAS
26543-05-5- PubChem CID
- 440873
- DTXSID
DTXSID10331534- ChEBI
CHEBI:37373- UNII
- C28QK3H63P
- Nikkaji
- J61.903E
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 69.3
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 252.9 · 252.9±23.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.46 · 4.46±0.10(Predicted)
- FDA UNII
- 28 QK3H63P · C28QK3H63P
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Metabolite Pathways2-Methyl-3-Hydroxybutryl CoA Dehydrogenase Deficiency
Additional notes
DefinitionChEBI: (S)-3-hydroxyisobutyric acid is a 3-hydroxyisobutyric acid. It is a conjugate acid of a (S)-3-hydroxyisobutyrate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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