(2R,4S)-2-Amino-4-fluoro-5-methylhexanoic acid
Basic information
- CAS
191986-92-2- Standard SMILES
CC(C)[C@@H](F)C[C@@H](N)C(=O)O- InChIKey
GCNHWLOCMGYYBW-NTSWFWBYSA-N- Molecular formula
- C7H14FNO2
- Average molar mass
- 163.19 g/mol
Names & identifiers
- Preferred name
- (2R,4S)-2-Amino-4-fluoro-5-methylhexanoic acid
- IUPAC
- (2R,4S)-2-amino-4-fluoro-5-methylhexanoic acid
- English name
- D-Norleucine, 4-fluoro-5-methyl-, (4S)-rel- (9CI)
- Molecular formula
- C7H14FNO2
- Molecular weight
- 163.19
Names & synonyms
191986-92-2(2R,4S)-2-Amino-4-fluoro-5-methylhexanoic acidD-Norleucine, 4-fluoro-5-methyl-, (4S)-rel- (9CI)
Database identifiers
- CAS
191986-92-2
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 258.034 · 258.034±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.096 · 1.096±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.175 · 2.175±0.30(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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