L-Ornithine L-aspartate salt - ≥96% , CAS No.3230-94-2

CAS: 3230-94-2 Cat. No.: L476453 Molecular Weight: 265.26 EC Number: 221-772-7

GRADE & PURITY ≥96%

Synonyms

(S)-2,5-Diaminopentanoic acid L-aspartate salt | L-Ornithine L-aspartate

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(S)-2, 5-Diaminopentanoic acid L-aspartate salt | L-Ornithine L-aspartate

Specifications & Purity

≥96%

Biochemical and Physiological Mechanisms

L-Ornithine L-aspartate is a metabolite of arginine degradation by arginase. It has been shown to reduce blood ammonia concentrations by increasing ammoniadetoxification in the muscle and reducing the severity of hepatic encephalopathy in cirrhosis.

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Note

Product of arginine degradation by arginase

Purity

≥96%

Names and Identifiers

• Canonical Smiles: C(CC(C(=O)O)N)CN.C(C(C(=O)O)N)C(=O)O
• IUPAC Name: (2S)-2-aminobutanedioic acid;(2S)-2,5-diaminopentanoic acid
• InChIKey: IXUZXIMQZIMPSQ-ZBRNBAAYSA-N
• INCHI: 1S/C5H12N2O2.C4H7NO4/c6-3-1-2-4(7)5(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,6-7H2,(H,8,9);2H,1,5H2,(H,6,7)(H,8,9)/t4-;2-/m00/s1
• Isomeric SMILES: C(C[C@@H](C(=O)O)N)CN.C([C@@H](C(=O)O)N)C(=O)O
• WGK Germany: 2
• RTECS: CI9463000
• Molecular Weight: 265.26
• Reaxy-Rn: 4170005
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4170005&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 Aspartic 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: Aspartic acid and derivatives
• Alternative Parents: L-alpha-amino acids Fatty acids and conjugates Dicarboxylic acids and derivatives Amino acids Carboxylic acids Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Aspartic acid or derivatives - Alpha-amino acid - L-alpha-amino acid - Dicarboxylic acid or derivatives - Fatty acid - Amino acid - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic salt - Organic zwitterion - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic 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: Heat sensitive
• Specific Rotation[α]: -3
• Melt Point(°C): 202.0-206.0℃
• Molecular Weight: 265.260 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 265.127 Da
• Monoisotopic Mass: 265.127 Da
• Topological Polar Surface Area: 190.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 227.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

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