Basic information
- CAS
23944-48-1- Standard SMILES
CC(C)[C@@](O)(C(=O)O)[C@@H](C)O- InChIKey
KXEISHUBUXWXGY-VDTYLAMSSA-N- Molecular formula
- C7H14O4
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.08920892
Overview
Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2S,3R)- has been reported in Praxelis clematidea with data available.
Names & identifiers
- Preferred name
- Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2S,3R)-
- IUPAC
- (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoic acid
Names & synonyms
Trachelanthic acid(+)-Trachelanthic acidP3U4CV6BYC23944-48-1UNII-P3U4CV6BYCButanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (S-(R*,S*))-Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2S,3R)-TRACHELANTHIC ACID, (+)-(2S,3R)-TRACHELANTHIC ACID(+)-(2'S,3'R)-TRACHELANTHIC ACID(2S,3R)-2,3-DIHYDROXY-2-(1-METHYLETHYL)BUTANOIC ACIDBUTYRIC ACID, 2,3-DIHYDROXY-2-ISOPROPYL-, (2S,3R)-
Database identifiers
- CAS
23944-48-1- PubChem CID
- 12444451
- UNII
- P3U4CV6BYC
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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