D-Threonine benzyl ester hydrochloride
Properties
- Molecular formula
- C11H16ClNO3
- Molar mass
- 245.70 g/mol
- Exact mass
- 245.0819 Da
- logP
- 0.86Crippen estimate
- Polar surface area
- 72.5 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 4
- Stereocentres
- S, Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
75748-36-6SMILES
C[C@@H]([C@H](C(=O)OCC1=CC=CC=C1)N)O.ClInChIKey
IDZGTFSDZJVMSD-KXNXZCPBSA-NInChI
InChI=1S/C11H15NO3.ClH/c1-8(13)10(12)11(14)15-7-9-5-3-2-4-6-9;/h2-6,8,10,13H,7,12H2,1H3;1H/t8-,10+;/m0./s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with D-Threonine benzyl ester hydrochloride
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
L-Valine benzyl ester hydrochloride2462-34-274 % similar
Alanine benzyl ester hydrochloride5557-83-565 % similar
D-Serine benzyl ester hydrochloride151651-44-459 % similar
L-Serine benzyl ester hydrochloride60022-62-059 % similar
Benzyl (2S)-2-hydroxypropanoate56777-24-358 % similar
Phenylalanine benzyl ester hydrochloride2462-32-058 % similar
N-[(Phenylmethoxy)carbonyl]-L-threonine phenylmethyl ester16597-50-556 % similar
Benzyl isobutyrate103-28-655 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds