(R)-2-Amino-3-hydroxy-3-methylbutanoic acid - ≥98% , CAS No.2280-48-0

CAS: 2280-48-0 Cat. No.: R192172 Peso molecular: 133.15 PubChem CID: 2724755

GRADE & PURITY ≥98%

Synonyms

D-beta-Hydroxyvaline | 3-Methyl-D-threonine | (R)-2-amino-3-hydroxy-3-methylbutanoicacid | AC-049 | EN300-214788 | AKOS015841523 | D-Threonine, 3-methyl- | LDRFQSZFVGJGGP-VKHMYHEASA-N | 3-Hydroxy-D-valine | D-.BETA.-HYDROXYVALINE | D-b-Hydroxyvaline | AC-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

D-beta-Hydroxyvaline | 3-Methyl-D-threonine | (R)-2-amino-3-hydroxy-3-methylbutanoicacid | AC-049 | EN300-214788 | AKOS015841523 | D-Threonine, 3-methyl- | LDRFQSZFVGJGGP-VKHMYHEASA-N | 3-Hydroxy-D-valine | D-.BETA.-HYDROXYVALINE | D-b-Hydroxyvaline | AC-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C(C(=O)O)N)O
• IUPAC Name: (2R)-2-amino-3-hydroxy-3-methylbutanoic acid
• InChIKey: LDRFQSZFVGJGGP-VKHMYHEASA-N
• INCHI: 1S/C5H11NO3/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1
• Isómeros SMILES: CC(C)([C@H](C(=O)O)N)O
• PubChem CID: 2724755
• Peso molecular: 133.15

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 Valine and derivatives

• 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
• Direct Parent: Valine and derivatives
• Alternative Parents: D-alpha-amino acids Short-chain hydroxy acids and derivatives Methyl-branched fatty acids Hydroxy fatty acids Tertiary alcohols 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 - D-alpha-amino acid - Branched fatty acid - Hydroxy fatty acid - Short-chain hydroxy acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Tertiary alcohol - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: 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: 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

• Peso molecular: 133.150 g/mol
• XLogP3: -2.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 133.074 Da
• Monoisotopic Mass: 133.074 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 121.000
• 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