L-Valine - UltraBio™, ≥99.5%(NT) , CAS No.72-18-4

CAS: 72-18-4 Cat. No.: L755656 Fórmula: C₅H₁₁NO₂ Peso molecular: 117.15 Beilstein Registry Number: 1721136 Número CE: 200-773-6

GRAU & PUREZA UltraBio™, ≥99.5%(NT)

Synonyms

L-2-Aminoisovaleric Acid | val | valine | (S)-Valine | H-Val-OH | (S)-(+)-Valine

Storage

Room temperature

Shipped In

Normal

Visão geral

• Metabolomics reveals metabolites associated with hair follicle cycle in cashmere goats.: This study utilizes L-Valine as a standard for detecting, understanding, and enhancing hair follicle cycles in cashmere goats through metabolomic analysis, aiding in the improvement of fiber production and quality (Ma et al., 2024).

Especificações

Sinónimos

L-2-Aminoisovaleric Acid | val | valine | (S)-Valine | H-Val-OH | (S)-(+)-Valine

Especificações e pureza

UltraBio™, ≥99.5%(NT)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

UltraBio™

Pureza

≥99.5%(NT)

Nomes e identificadores

Pubchem Sid

528765092

Sorrisos canónicos

CC(C)C(C(=O)O)N

IUPAC Name

(2S)-2-amino-3-methylbutanoic acid

InChIKey

KZSNJWFQEVHDMF-BYPYZUCNSA-N

INCHI

1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1

SMILES isoméricas

CC(C)[C@@H](C(=O)O)N

CAS alternativo

7004-03-7

Peso molecular

117.15

Beilstein

1721136

Reaxy-Rn

506689

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506689&ln=

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 Valine 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: Valine and derivatives
• Alternative Parents: L-alpha-amino acids Methyl-branched fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Valine or derivatives - Alpha-amino acid - L-alpha-amino acid - Branched fatty acid - Methyl-branched fatty acid - Fatty acid - Fatty acyl - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - 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 valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Common amino acids

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

• Solubilidade: 1 M HCl: 0.5 M at 20 °C, clear, colorless
• Rotação específica [α]: 28° (C=8,HCl(1+1))
• Ponto de fusão (°C): 315°C
• Peso molecular: 117.150 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 117.079 Da
• Monoisotopic Mass: 117.079 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 90.400
• 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: 1