(2S,3R)-2-ethenyl-3-hydroxybutanedioic acid
Basic information
- CAS
246233-05-6- Standard SMILES
C=C[C@H](C(=O)O)[C@@H](O)C(=O)O- InChIKey
CCYHZXJMZCTPIG-IUYQGCFVSA-N- Molecular formula
- C6H8O5
- Average molar mass
- 160.12 g/mol
- Monoisotopic mass
- 160.03717335
Names & identifiers
- Preferred name
- (2S,3R)-2-ethenyl-3-hydroxybutanedioic acid
- IUPAC
- (2S,3R)-2-ethenyl-3-hydroxybutanedioic acid
Names & synonyms
(2S,3R)-2-ethenyl-3-hydroxybutanedioic acid246233-05-6RefChem:68988Vinylmalate, 19CHEMBL225713BDBM23221DTXSID101261688
Database identifiers
- CAS
246233-05-6- PubChem CID
- 10654516
- DTXSID
DTXSID101261688- ChEMBL
CHEMBL225713- Nikkaji
- J1.190.814D
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…