Nα,Nα-Bis(carboxymethyl)-L-lysine hydrate - ≥97% , CAS No.941689-36-7

CAS: 941689-36-7 Cat. No.: I171290 Molecular Weight: 262.26 (anhydrous basis） Beilstein Registry Number: 9141770 PubChem CID: 23586678

GRADE & PURITY ≥97%

Synonyms

(S)-N-(5-Amino-1-carboxypentyl)iminodiacetic acid;

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(S)-N-(5-Amino-1-carboxypentyl)iminodiacetic acid;

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488200356
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200356
• Canonical Smiles: C(CCN)CC(C(=O)O)N(CC(=O)O)CC(=O)O.O
• IUPAC Name: (2S)-6-amino-2-[bis(carboxymethyl)amino]hexanoic acid;hydrate
• InChIKey: WTVPNZLAZFGAFK-FJXQXJEOSA-N
• INCHI: 1S/C10H18N2O6.H2O/c11-4-2-1-3-7(10(17)18)12(5-8(13)14)6-9(15)16;/h7H,1-6,11H2,(H,13,14)(H,15,16)(H,17,18);1H2/t7-;/m0./s1
• Isomeric SMILES: C(CCN)C[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O.O
• WGK Germany: 3
• PubChem CID: 23586678
• Molecular Weight: 262.26 (anhydrous basis）
• Beilstein: 9141770

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 Alpha amino acids
              • Level8 L-alpha-amino acids

• 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 - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Tricarboxylic acids and derivatives Amino fatty acids Trialkylamines Amino acids Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: L-alpha-amino acid - Tricarboxylic acid or derivatives - Amino fatty acid - Fatty acyl - Tertiary amine - Tertiary aliphatic amine - Amino acid - Carboxylic acid - Organic oxygen compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• 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

• Molecular Weight: 280.280 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 280.127 Da
• Monoisotopic Mass: 280.127 Da
• Topological Polar Surface Area: 142.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 291.000
• 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: 2

XLogP3

References

1. Xiaohong Zhou, Wenfeng Zhou, Wei Zhuang, Chenjie Zhu, Hanjie Ying, Hongman Zhang.  (2022)  Enhanced production of cytidine 5′-monophosphate using biocatalysis of di-enzymes immobilized on amino-functionalized sepharose.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2022.11.002]

2. Liya Zhou, Yaping Ouyang, Weixi Kong, Teng Ma, Hao Zhao, Yanjun Jiang, Jing Gao, Li Ma.  (2022)  One pot purification and co-immobilization of His-tagged old yellow enzyme and glucose dehydrogenase for asymmetric hydrogenation.  ENZYME AND MICROBIAL TECHNOLOGY,      [PMID:35151127] [10.1016/j.enzmictec.2022.110001]