DL-Aspartic acid(DL-Asp) - ≥98% , CAS No.617-45-8

CAS: 617-45-8 Cat. No.: A108708 Molecular Weight: 133.1 Beilstein Registry Number: 774618 EC Number: 210-513-3

GRADE & PURITY ≥98%

Synonyms

DL-Asp-OH | H-DL-Asp-OH | DL-Aminosuccinic acid | (+/-)-2-Aminosuccinic acid | (+-)-Aspartic acid | (R,S)-Aspartic acid | 2-aminobutanedioic acid | Aminosuccinic acid | MFCD00063083 | DL-Asparagic acid | Acid D,L-aspart

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DL-Asp-OH | H-DL-Asp-OH | DL-Aminosuccinic acid | (+/-)-2-Aminosuccinic acid | (+-)-Aspartic acid | (R, S)-Aspartic acid | 2-aminobutanedioic acid | Aminosuccinic acid | MFCD00063083 | DL-Asparagic acid | Acid D, L-aspart

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

DL-Aspartic acid (DL-Asp) is a racemic mixture of the proteinogenic amino acid L-aspartate and the non-proteinogenic amino acid D-aspartate. DL-Aspartic acid is used in studies on factors and conditions that enhance semen and sperm quality.

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488179522
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179522
• Canonical Smiles: C(C(C(=O)O)N)C(=O)O
• IUPAC Name: 2-aminobutanedioic acid
• InChIKey: CKLJMWTZIZZHCS-UHFFFAOYSA-N
• INCHI: 1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)
• Isomeric SMILES: C(C(C(=O)O)N)C(=O)O
• WGK Germany: 1
• RTECS: CI9097800
• Molecular Weight: 133.1
• Beilstein: 774618
• Reaxy-Rn: 774618
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774618&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: Alpha amino acids Fatty acids and conjugates Dicarboxylic acids and derivatives Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Aspartic acid or derivatives - Alpha-amino acid - Dicarboxylic acid or derivatives - Fatty acid - Amino acid - Carboxylic acid - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Organic oxide - 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: C4-dicarboxylic acid - alpha-amino acid

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

• Solubility: Soluble in water, and hydrochloric acid. Insoluble in ether, and alcohol.
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 300°C
• Molecular Weight: 133.100 g/mol
• XLogP3: -2.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 133.038 Da
• Monoisotopic Mass: 133.038 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 133.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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