D(-)-Isovaline - ≥98% , CAS No.3059-97-0

CAS: 3059-97-0 Cat. No.: I118303 Formule: C₅H₁₁NO₂ Poids moléculaire: 117.15

GRADE & PURITY ≥98%

Synonyms

.ALPHA.-METHYL-D-.ALPHA.-AMINOBUTYRIC ACID | UNII-IF7U5GXQ28 | (R)-Isovaline | HY-W008544 | DTXSID501016649 | AM10160 | Isovaline, D- | (R)-(-)-2-Amino-2-methylbutanoic acid | (R)-2-Amino-2-methylbutyricacidhydrochloride | F12073 | DB04171 | D-Isovaline |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

.ALPHA.-METHYL-D-.ALPHA.-AMINOBUTYRIC ACID | UNII-IF7U5GXQ28 | (R)-Isovaline | HY-W008544 | DTXSID501016649 | AM10160 | Isovaline, D- | (R)-(-)-2-Amino-2-methylbutanoic acid | (R)-2-Amino-2-methylbutyricacidhydrochloride | F12073 | DB04171 | D-Isovaline |

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504760932

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760932

Sourires canoniques

CCC(C)(C(=O)O)N

IUPAC Name

(2R)-2-amino-2-methylbutanoic acid

InChIKey

GCHPUFAZSONQIV-RXMQYKEDSA-N

INCHI

1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1

Isomères SMILES

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

Poids moléculaire

117.15

Reaxy-Rn

773955

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773955&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 Alpha amino acids
              • Level8 L-alpha-amino acids

• 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 - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: 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: 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 - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: 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

Propriétés chimiques et physiques

• Point de fusion (°C): 277°C
• Poids moléculaire: 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: 103.000
• 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