L-Aspartic acid magnesium salt - ≥95% , CAS No.2068-80-6

CAS: 2068-80-6 Cat. No.: L182670 Molecular Weight: 288.49 EC Number: 218-191-6

GRADE & PURITY ≥95%

Synonyms

DTXSID40889452 | Magnesium dihydrogen di-L-aspartate | Q6731379 | Magnesium L-aspartate (JAN) | D02026 | J-012232 | AKOS022185485 | L-Aspartic acid, magnesium salt (2:1) | Magnesium L-aspartate salt | Magnesium aspartate | Monomagnesium di-L-aspartate | M

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID40889452 | Magnesium dihydrogen di-L-aspartate | Q6731379 | Magnesium L-aspartate (JAN) | D02026 | J-012232 | AKOS022185485 | L-Aspartic acid, magnesium salt (2:1) | Magnesium L-aspartate salt | Magnesium aspartate | Monomagnesium di-L-aspartate | M

Specifications & Purity

≥95%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488186743
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186743
• Canonical Smiles: C(C(C(=O)O)N)C(=O)[O-].C(C(C(=O)O)N)C(=O)[O-].[Mg+2]
• IUPAC Name: magnesium;(3S)-3-amino-4-hydroxy-4-oxobutanoate
• InChIKey: RXMQCXCANMAVIO-CEOVSRFSSA-L
• INCHI: 1S/2C4H7NO4.Mg/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*2-;/m00./s1
• Isomeric SMILES: C([C@@H](C(=O)O)N)C(=O)[O-].C([C@@H](C(=O)O)N)C(=O)[O-].[Mg+2]
• Molecular Weight: 288.49
• Reaxy-Rn: 8288806
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8288806&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 Carboxylic acid salts 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 - Carboxylic acid salt - Amino acid - Carboxylic acid - Organic oxide - Organic salt - Organic zwitterion - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - 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: Moisture and Light sensitive
• Molecular Weight: 288.490 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 288.044 Da
• Monoisotopic Mass: 288.044 Da
• Topological Polar Surface Area: 207.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 127.000
• 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: 3

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