Basic information
- CAS
35455-20-0- Standard SMILES
N[C@H](CF)C(=O)O- InChIKey
UYTSRQMXRROFPU-UWTATZPHSA-N- Molecular formula
- C3H6FNO2
- Average molar mass
- 107.08 g/mol
- Monoisotopic mass
- 107.03825665
Overview
See also: Fludalanine (annotation moved to).
Names & identifiers
- Preferred name
- 3-fluoro-D-alanine
- IUPAC
- (2S)-2-amino-3-fluoropropanoic acid
- English name
- 3-Fluoro-D-alanine
- Molecular formula
- C3H6FNO2
- Molecular weight
- 107.08
Names & synonyms
3-Fluoro-D-alanine(S)-3-FluoroalanineD-Alanine, 3-fluoro-35455-20-0beta-Fluoro-D-alanine6E8IWO1KN2DTXSID40331441RefChem:1067834DTXCID90282535(S)-2-Amino-3-fluoropropanoic acid(2S)-2-amino-3-fluoropropanoic acid3-Fluoro-D-alanine [MI]
Show more names
UNII-6E8IWO1KN2AC1L980QCTK1B6933SCHEMBL5578002.BETA.-FLUORO-D-ALANINECHEMBL2111117UYTSRQMXRROFPU-UWTATZPHSA-N(S)-2-Amino-3-fluoropropanoicacid
Database identifiers
- CAS
35455-20-0- PubChem CID
- 439775
- DTXSID
DTXSID40331441- UNII
- 6E8IWO1KN2
- Nikkaji
- J89.017K
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 75.3
Physicochemical properties
- FDA UNII
- 6 E8IWO1KN2 · 6E8IWO1KN2
Chemistry & industry
Suppliers3 total
北京珐默兹医药科技有限公司15811073878 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
Related reactions
1 records
Compound notes
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