AC1LD4LJ
Basic information
- CAS
65830-32-2- Standard SMILES
COC(=O)[C@H](C)[C@H](C)O- InChIKey
FFJMPYODEQVBEX-UHNVWZDZSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Overview
Threo-3-Hydroxy-2-methylbutyric acid is a 3-hydroxy carboxylic acid.
Names & identifiers
- Preferred name
- AC1LD4LJ
- IUPAC
- methyl (2R,3S)-3-hydroxy-2-methylbutanoate
- English name
- Butanoic acid, 3-hydroxy-2-methyl-, methyl ester, (2R,3S)-
- Molecular formula
- C6H12O3
- Molecular weight
- 132.16
Names & synonyms
AC1LD4LJ65830-32-2DTXSID80349000RefChem:313902DTXCID00300072Threo-3-Hydroxy-2-methylbutyric acidmethyl (2R,3S)-3-hydroxy-2-methylbutanoateSCHEMBL29616471CHEBI:89862(-)-(2r,3s)-methyl-3-hydroxy-2-methylbutyrateQ27162044Butanoic acid, 3-hydroxy-2-methyl-, methyl ester, (2R,3S)-
Database identifiers
- CAS
65830-32-2- PubChem CID
- 642248
- DTXSID
DTXSID80349000- ChEBI
CHEBI:89862- Nikkaji
- J1.372.591H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 100
Physicochemical properties
- Boiling point
- 73 °C · 73 °C(Press: 10 Torr)
- Density
- 1.021 · 1.021±0.06 g/cm3(Predicted)
- pka
- 14.47 · 14.47±0.20(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Threo-3-Hydroxy-2-methylbutyric acid is a 3-hydroxy carboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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