Benzyl D-threoninate--hydrogen chloride (1/1)
Basic information
- CAS
75748-36-6- Standard SMILES
C[C@H](O)[C@@H](N)C(=O)OCc1ccccc1.Cl- InChIKey
IDZGTFSDZJVMSD-KXNXZCPBSA-N- Molecular formula
- C11H16ClNO3
- Average molar mass
- 245.7 g/mol
- Monoisotopic mass
- 245.0818711
Names & identifiers
- Preferred name
- Benzyl D-threoninate--hydrogen chloride (1/1)
- IUPAC
- benzyl (2R,3S)-2-amino-3-hydroxybutanoate;hydrochloride
- English name
- D-Threonine benzyl ester hydrochloride
- Molecular formula
- C11H16ClNO3
- Molecular weight
- 245.7
Names & synonyms
75748-36-6DTXSID70719950Benzyl D-threoninate--hydrogen chloride (1/1)RefChem:328651DTXCID90670695H-D-Thr-OBzl.HClD-Threonine Benzyl Ester HydrochlorideMFCD28975347D-Threonine benzyl ester HClD-Threonine benzyl ester, HCl(2R,3S)-Benzyl 2-amino-3-hydroxybutanoate hydrochlorideH-D-Thr-OBzl inverted exclamation mark currencyHCl
Show more names
D-Thr-OBzl·HClH-D-THR-OBZL HCLD-Threonine phenylmethyl ester hydrochlorideD-THREONINE BENZYL ESTER HYDROCHLORIDE USP/EP/BPD-Threonine benzyl ester hydrochloride≥ 99% (HPLC)benzyl (2R,3S)-2-amino-3-hydroxybutanoate,hydrochloride
benzyl (2R,3S)-2-amino-3-hydroxybutanoate;hydrochlorideH-D-Thr-OBzlaHClCbz-D-Thr-OBzl HClSCHEMBL29400943AKOS025289491DS-7560SY109008CS-0158282
Database identifiers
- CAS
75748-36-6- PubChem CID
- 56973685
- DTXSID
DTXSID70719950
Properties
Computed structural properties
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 128 to · 128.0 to 132.0 °C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- soluble in Ethanol
- form
- powder to crystal
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2922.5 · 2922.50.4000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2922.50.4000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesD-Threonine Benzyl Ester Hydrochloride is a reactant used in the preparation of 3-methyl-7-phenylacetamido-O-2-isocephem with antimicrobial activity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…