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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H11NO3.ClH
Molecular Weight 217.649
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Phenylisoserine hydrochloride, (2S,3R)-

SMILES

Cl.N[C@@H]([C@H](O)C(O)=O)C1=CC=CC=C1

InChI

InChIKey=OTJZSGZNPDLQAJ-WLYNEOFISA-N
InChI=1S/C9H11NO3.ClH/c10-7(8(11)9(12)13)6-4-2-1-3-5-6;/h1-5,7-8,11H,10H2,(H,12,13);1H/t7-,8+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C9H11NO3
Molecular Weight 181.1885
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:28:34 GMT 2025
Edited
by admin
on Wed Apr 02 19:28:34 GMT 2025
Record UNII
RE3C9YEG2N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3R)-3-Amino-2-hydroxy-3-phenylpropanoic acid hydrochloride
Preferred Name English
3-Phenylisoserine hydrochloride, (2S,3R)-
Common Name English
Benzenepropanoic acid, ?-amino-?-hydroxy-, hydrochloride (1:1), (?S,?R)-
Systematic Name English
Benzenepropanoic acid, ?-amino-?-hydroxy-, hydrochloride, (?S,?R)-
Systematic Name English
Code System Code Type Description
CAS
521059-43-8
Created by admin on Wed Apr 02 19:28:34 GMT 2025 , Edited by admin on Wed Apr 02 19:28:34 GMT 2025
PRIMARY
PUBCHEM
71751628
Created by admin on Wed Apr 02 19:28:34 GMT 2025 , Edited by admin on Wed Apr 02 19:28:34 GMT 2025
PRIMARY
FDA UNII
RE3C9YEG2N
Created by admin on Wed Apr 02 19:28:34 GMT 2025 , Edited by admin on Wed Apr 02 19:28:34 GMT 2025
PRIMARY