DL-Valine - ≥98% , CAS No.516-06-3

CAS: 516-06-3 Cat. No.: V104896 分子式: C₅H₁₁NO₂ 分子量: 117.15 Beilstein Registry Number: 506689 EC番号: 208-220-0

グレード＆純度 ≥98%

Synonyms

(+/-)-2-AMINOISOVALERIC ACID | AKOS040764370 | HY-W012889 | NSC20654 | NSC-20654 | 8D785241-1AC3-4C14-8D43-308A8EA5169C | LMFA01100046 | 2-Amino-3-methylbutanoic acid, DL- | AS-11670 | L-VALINE-13C5, 15N | FT-0625632 | L-Valine-15N;59935-29-4;H-[15N]VAL-O

Storage

Room temperature

Shipped In

Normal

仕様

同義語

(+/-)-2-AMINOISOVALERIC ACID | AKOS040764370 | HY-W012889 | NSC20654 | NSC-20654 | 8D785241-1AC3-4C14-8D43-308A8EA5169C | LMFA01100046 | 2-Amino-3-methylbutanoic acid, DL- | AS-11670 | L-VALINE-13C5, 15N | FT-0625632 | L-Valine-15N;59935-29-4;H-[15N]VAL-O

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488179608

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488179608

カノニカル・スマイル

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

IUPAC Name

2-amino-3-methylbutanoic acid

InChIKey

KZSNJWFQEVHDMF-UHFFFAOYSA-N

INCHI

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

異性体SMILES

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

WGKドイツ

1

分子量

117.15

Beilstein

506689

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
    • 分類 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
• 分類: 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: 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 - Branched fatty acid - Methyl-branched fatty acid - Fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• 説明: 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: Amino fatty 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

作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive.
• 融点（°C）: 295°C
• 分子量: 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: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1