(R)-(+)-α-Methylvaline - ≥98% , CAS No.53940-82-2

CAS: 53940-82-2 Cat. No.: M107879 Fórmula: C₆H₁₃NO₂ Peso molecular: 131.17

GRADE & PURITY ≥98%

Synonyms

DS-8259 | (R)-a-Methylvaline, 3-Methyl-D-isovaline | AB08748 | ?-Methyl-D-valine | (R)-2-AMINO-2,3-DIMETHYLBUTANOICACID | HY-W010386 | A870608 | AC-4452 | DTXSID20426344 | MFCD01318765 | L-Isovaline, 3-methyl- | (R)-(+)-alpha-Methylvaline, 99%, >=98.5% (T

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

DS-8259 | (R)-a-Methylvaline, 3-Methyl-D-isovaline | AB08748 | ?-Methyl-D-valine | (R)-2-AMINO-2,3-DIMETHYLBUTANOICACID | HY-W010386 | A870608 | AC-4452 | DTXSID20426344 | MFCD01318765 | L-Isovaline, 3-methyl- | (R)-(+)-alpha-Methylvaline, 99%, >=98.5% (T

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504764440

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764440

Sonrisas canónicas

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

IUPAC Name

(2R)-2-amino-2,3-dimethylbutanoic acid

InChIKey

GPYTYOMSQHBYTK-ZCFIWIBFSA-N

INCHI

1S/C6H13NO2/c1-4(2)6(3,7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t6-/m1/s1

Isómeros SMILES

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

WGK Alemania

3

Peso molecular

131.17

Reaxy-Rn

1702631

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702631&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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: Methyl-branched fatty acids Quaternary ammonium salts Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: L-alpha-amino acid - Branched fatty acid - Methyl-branched fatty acid - Fatty acid - Fatty acyl - Quaternary ammonium salt - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organic salt - Organic zwitterion - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic
• Rotación específica [α]: [α]/D +3.5±0.5°, c = 1% in H2O
• Peso molecular: 131.170 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 131.095 Da
• Monoisotopic Mass: 131.095 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 122.000
• 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: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 53940-82-2, the molecular formula is C6H13NO2, and the molecular weight is 131.17 g/mol. InChIKey GPYTYOMSQHBYTK-ZCFIWIBFSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.