L-Glutamic Acid 1-Benzyl Ester - ≥98% , CAS No.13030-09-6

CAS: 13030-09-6 Cat. No.: G117189 Molecular Weight: 237.25 Beilstein Registry Number: 6(4)2533 EC Number: 692-605-7

GRADE & PURITY ≥98%

Synonyms

l-glutamic acid alpha-benzyl ester | (4S)-4-amino-5-(benzyloxy)-5-oxopentanoic acid | l-Glutamic acid, monobenzyl ester | SCHEMBL124387 | 1-Benzyl L-Glutamate | AM20020382 | (S)-4-Amino-5-(benzyloxy)-5-oxopentanoic acid | A-benzyl ester | L-glutamic acid-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

l-glutamic acid alpha-benzyl ester | (4S)-4-amino-5-(benzyloxy)-5-oxopentanoic acid | l-Glutamic acid, monobenzyl ester | SCHEMBL124387 | 1-Benzyl L-Glutamate | AM20020382 | (S)-4-Amino-5-(benzyloxy)-5-oxopentanoic acid | A-benzyl ester | L-glutamic acid-

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504764500
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764500
• Canonical Smiles: C1=CC=C(C=C1)COC(=O)C(CCC(=O)O)N
• IUPAC Name: (4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
• InChIKey: HFZKKJHBHCZXTQ-JTQLQIEISA-N
• INCHI: 1S/C12H15NO4/c13-10(6-7-11(14)15)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,15)/t10-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)[C@H](CCC(=O)O)N
• Molecular Weight: 237.25
• Beilstein: 6(4)2533
• Reaxy-Rn: 2131554
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2131554&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Glutamic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Glutamic acid and derivatives
• Alternative Parents: Alpha amino acid esters Benzyloxycarbonyls Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid salts Carboxylic acid esters Amino acids Carboxylic acids Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Glutamic acid or derivatives - Alpha-amino acid ester - Benzyloxycarbonyl - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Amino acid - Carboxylic acid salt - Carboxylic acid - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture & heat & air sensitive
• Specific Rotation[α]: +10.0 to +12.0 deg(C=1, 1mol/L HCl)
• Melt Point(°C): 157°C
• Molecular Weight: 237.250 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 237.1 Da
• Monoisotopic Mass: 237.1 Da
• Topological Polar Surface Area: 89.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 261.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1