(2S,3S)-2,3-dimethyl-5-oxooxolane-2-carboxylic acid
Basic information
- CAS
240118-48-3- Standard SMILES
C[C@H]1CC(=O)O[C@]1(C)C(=O)O- InChIKey
YZSAAFPSSTZXMN-FFWSUHOLSA-N- Molecular formula
- C7H10O4
- Average molar mass
- 158.15 g/mol
- Monoisotopic mass
- 158.0579088
Names & identifiers
- Preferred name
- (2S,3S)-2,3-dimethyl-5-oxooxolane-2-carboxylic acid
- IUPAC
- (2S,3S)-2,3-dimethyl-5-oxooxolane-2-carboxylic acid
- English name
- D-erythro-Pentaric acid, 2,3-dideoxy-3-methyl-4-C-methyl-, 1,4-lactone (9CI)
- Molecular formula
- C7H10O4
- Molecular weight
- 158.15
Names & synonyms
D-erythro-Pentaric acid, 2,3-dideoxy-3-methyl-4-C-methyl-, 1,4-lactone (9CI)
Database identifiers
- CAS
240118-48-3- PubChem CID
- 11105622
- Nikkaji
- J1.123.901C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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