Nopaline - ≥96% , CAS No.22350-70-5

CAS: 22350-70-5 Cat. No.: N349318 Fórmula: C₁₁H₂₀N₄O₆ Peso molecular: 304.30

GRADE & PURITY ≥96%

Synonyms

(2R)-2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]pentanedioic acid | CHEBI:17249 | D-Glutamic acid, N-(4-((aminoiminomethyl)amino)-1-carboxybutyl)-, (S)- | N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid | D-Nopaline | N(2)-(D-1,3-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(2R)-2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]pentanedioic acid | CHEBI:17249 | D-Glutamic acid, N-(4-((aminoiminomethyl)amino)-1-carboxybutyl)-, (S)- | N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid | D-Nopaline | N(2)-(D-1,3-

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

504756647

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756647

Sorrisos canónicos

C(CC(C(=O)O)NC(CCC(=O)O)C(=O)O)CN=C(N)N

IUPAC Name

(2R)-2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]pentanedioic acid

InChIKey

LMKYZBGVKHTLTN-NKWVEPMBSA-N

INCHI

1S/C11H20N4O6/c12-11(13)14-5-1-2-6(9(18)19)15-7(10(20)21)3-4-8(16)17/h6-7,15H,1-5H2,(H,16,17)(H,18,19)(H,20,21)(H4,12,13,14)/t6-,7+/m0/s1

SMILES isoméricas

C(C[C@@H](C(=O)O)N[C@H](CCC(=O)O)C(=O)O)CN=C(N)N

Peso molecular

304.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Arginine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Arginine and derivatives
• Alternative Parents: Glutamic acid and derivatives L-alpha-amino acids D-alpha-amino acids Tricarboxylic acids and derivatives Amino fatty acids Guanidines Amino acids Dialkylamines Carboxylic acids Carboximidamides Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Arginine or derivatives - Glutamic acid or derivatives - Alpha-amino acid - D-alpha-amino acid - L-alpha-amino acid - Tricarboxylic acid or derivatives - Amino fatty acid - Fatty acyl - Guanidine - Amino acid - Carboximidamide - Secondary amine - Secondary aliphatic amine - Carboxylic acid - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as arginine and derivatives. These are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: guanidines - secondary amino compound - tricarboxylic acid - amino acid opine - L-arginine derivative - D-glutamic acid derivative

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

Propriedades químicas e físicas

• Ponto de fusão (°C): 175-177° C (dec.)
• Peso molecular: 304.300 g/mol
• XLogP3: -4.200
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 304.138 Da
• Monoisotopic Mass: 304.138 Da
• Topological Polar Surface Area: 188.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 408.000
• 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: 1