Tetrasodium N,N-Bis(carboxymethyl)-L-glutamate - The effective content was ≥47% , CAS No.51981-21-6

CAS: 51981-21-6 Cat. No.: T303874 Molecular Weight: 351.13 EC Number: 257-573-7 PubChem CID: 44630158

GRADE & PURITY The effective content was ≥47%

Synonyms

N,N-Bis(carboxymethyl)-L-glutamic Acid Tetrasodium Salt | Tetrasodium N,N-bis(carboxylatomethyl)-L-glutamate | L-Glutamic acid, N,N-bis(carboxymethyl)-, sodium salt (1:4) | TETRASODIUM GLUTAMATE DIACETATE [INCI] | UZVUJVFQFNHRSY-OUTKXMMCSA-J | GLUTAMIC AC

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

N, N-Bis(carboxymethyl)-L-glutamic Acid Tetrasodium Salt | Tetrasodium N, N-bis(carboxylatomethyl)-L-glutamate | L-Glutamic acid, N, N-bis(carboxymethyl)-, sodium salt (1:4) | TETRASODIUM GLUTAMATE DIACETATE [INCI] | UZVUJVFQFNHRSY-OUTKXMMCSA-J | GLUTAMIC AC

Specifications & Purity

The effective content was ≥47%

Storage

Room temperature, Desiccated

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504770431
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770431
• Canonical Smiles: C(CC(=O)[O-])C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• IUPAC Name: tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate
• InChIKey: UZVUJVFQFNHRSY-OUTKXMMCSA-J
• INCHI: 1S/C9H13NO8.4Na/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16;;;;/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;;/q;4*+1/p-4/t5-;;;;/m0..../s1
• Isomeric SMILES: C(CC(=O)[O-])[C@@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• PubChem CID: 44630158
• Molecular Weight: 351.13

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: Tetracarboxylic acids and derivatives L-alpha-amino acids Amino fatty acids Trialkylamines Carboxylic acid salts Amino acids Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glutamic acid or derivatives - Tetracarboxylic acid or derivatives - Alpha-amino acid - L-alpha-amino acid - Amino fatty acid - Fatty acyl - Carboxylic acid salt - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid - Organic alkali metal salt - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic sodium salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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

• Specific Rotation[α]: 10° (neat)
• Molecular Weight: 351.130 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 350.992 Da
• Monoisotopic Mass: 350.992 Da
• Topological Polar Surface Area: 164.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 314.000
• 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: 5

XLogP3

References

1. Jian Liu, Xueren Huang, Zhengji Yi.  (2024)  Complexing agent-assisted Cr(VI) removal in a continuous fixed-bed system with nanoscale Fe0/NaA molecular sieve membrane supported on nickel foam.  CHEMOSPHERE,      [PMID:39097113] [10.1016/j.chemosphere.2024.143003]