D-Threonine Benzyl Ester
Basic information
- CAS
82679-58-1- Standard SMILES
C[C@H](O)[C@@H](N)C(=O)OCc1ccccc1- InChIKey
IHRYAQVOEVWURS-WCBMZHEXSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- D-Threonine Benzyl Ester
- IUPAC
- benzyl (2R,3S)-2-amino-3-hydroxybutanoate
- English name
- D-Threonine benzyl ester
- Molecular formula
- C11H15NO3
- Molecular weight
- 209.24
Names & synonyms
82679-58-1H-D-Thr-OBzlD-Threonine Benzyl EsterBENZYL (2R,3S)-2-AMINO-3-HYDROXYBUTANOATEBenzyl d-threoninate(2R,3S)-Benzyl 2-amino-3-hydroxybutanoateMFCD02094345D-Threonine phenylmethyl esterD-Threonine, phenylmethyl esterSCHEMBL14908325DTXSID10427168IHRYAQVOEVWURS-WCBMZHEXSA-N
Show more names
D-Thr-obzl
SY485794D-THREONINE BENZYL ESTER USP/EP/BPbenzyl (2R,3S)-2-amino-3-hydroxy-butanoateG68732F553290
Database identifiers
- CAS
82679-58-1- PubChem CID
- 7019772
- DTXSID
DTXSID10427168- Nikkaji
- J3.151.362F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 364.1 · 364.1±27.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- pka
- 12 · 12.00±0.45(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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