Basic information
- CAS
106138-31-2- Standard SMILES
N[C@H](C(=O)O)[C@H](F)C(=O)O- InChIKey
WKTWOKOOUAZXQP-LWMBPPNESA-N- Molecular formula
- C4H6FNO4
- Average molar mass
- 151.09 g/mol
- Monoisotopic mass
- 151.02808583
Names & identifiers
- Preferred name
- (2R,3S)-2-Amino-3-fluorobutanedioic acid
- IUPAC
- (2R,3S)-2-amino-3-fluorobutanedioic acid
- English name
- L-Aspartic acid, 3-fluoro-, threo- (9CI)
- Molecular formula
- C4H6FNO4
- Molecular weight
- 151.0931432
Names & synonyms
(2R,3S)-2-Amino-3-fluorobutanedioic acidL-Aspartic acid, 3-fluoro-, threo- (9CI)106138-31-2
Database identifiers
- CAS
106138-31-2- PubChem CID
- 12510843
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 159
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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