(2S,3S)-2-hydroxy-3-methylbutanedioic acid
Basic information
- CAS
13398-41-9- Standard SMILES
C[C@H](C(=O)O)[C@H](O)C(=O)O- InChIKey
NPYQJIHHTGFBLN-HRFVKAFMSA-N- Molecular formula
- C5H8O5
- Average molar mass
- 148.11 g/mol
- Monoisotopic mass
- 148.03717335
Overview
L-threo-3-methylmalic acid is a threo-3-methylmalic acid that has (2S,3S)-configuration. It is an enantiomer of a D-threo-3-methylmalic acid.
Names & identifiers
- Preferred name
- (2S,3S)-2-hydroxy-3-methylbutanedioic acid
- IUPAC
- (2S,3S)-2-hydroxy-3-methylbutanedioic acid
Names & synonyms
L-threo-3-methylmalic acid(2S,3S)-2-hydroxy-3-methylbutanedioic acidL-threo-3-MethylmalateSCHEMBL4820682CHEBI:28456DTXSID501268600AKOS00637788813398-41-9C06029Q27103705
Database identifiers
- CAS
13398-41-9- PubChem CID
- 440889
- DTXSID
DTXSID501268600- ChEBI
CHEBI:28456- Nikkaji
- J1.436.825F
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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