(S)-4,5-Diamino-5-oxopentanoic acid - ≥98% , CAS No.636-65-7

CAS: 636-65-7 Cat. No.: S589758 Molecular Weight: 146.14 PubChem CID: 445883

GRADE & PURITY ≥98%

Synonyms

L-Glutamic acid alpha-amide | Isoglutamine | Glutamic acid alpha-amide | (S)-4,5-Diamino-5-oxopentanoic acid | H-Glu-NH2 | L-alpha-Glutamine | L-Isoglutamine | Pentanoic acid, 4,5-diamino-5-oxo-, (4S)- | UNII-WL74QNU57B | (4S)-4,5-diamino-5-oxopentanoic a

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

L-Glutamic acid alpha-amide | Isoglutamine | Glutamic acid alpha-amide | (S)-4, 5-Diamino-5-oxopentanoic acid | H-Glu-NH2 | L-alpha-Glutamine | L-Isoglutamine | Pentanoic acid, 4, 5-diamino-5-oxo-, (4S)- | UNII-WL74QNU57B | (4S)-4, 5-diamino-5-oxopentanoic a

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, 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

• Canonical Smiles: C(CC(=O)O)C(C(=O)N)N
• IUPAC Name: (4S)-4,5-diamino-5-oxopentanoic acid
• InChIKey: AEFLONBTGZFSGQ-VKHMYHEASA-N
• INCHI: 1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m0/s1
• Isomeric SMILES: C(CC(=O)O)[C@@H](C(=O)N)N
• PubChem CID: 445883
• Molecular Weight: 146.14

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 amides Amino fatty acids Fatty amides Primary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glutamic acid or derivatives - Alpha-amino acid amide - Amino fatty acid - Fatty amide - Fatty acyl - Fatty acid - Carboxamide group - Amino acid - Primary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Aliphatic acyclic 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: light sensitive
• Molecular Weight: 146.140 g/mol
• XLogP3: -4.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 146.069 Da
• Monoisotopic Mass: 146.069 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 146.000
• 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