DL-Valine-d₈ - ≥98 atom% D,≥98% , CAS No.203784-63-8

CAS: 203784-63-8 Cat. No.: D471964 Formule: (CD₃)₂CDCD(NH₂)CO₂H Poids moléculaire: 125.2

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

DTXSID40514732 | (2,3,4,4,4,4',4',4'-~2~H_8_)Valine | DL-Valine-d8, 98 atom % D | D98944 | DL-Valine-2,3,4,4,4,5,5,5-d8 | SCHEMBL2557671 | DL-Valine-d8 | 2-amino-2,3,4,4,4-pentadeuterio-3-(trideuteriomethyl)butanoic acid | J-013255 | HY-W012889S

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

DTXSID40514732 | (2,3,4,4,4,4',4',4'-~2~H_8_)Valine | DL-Valine-d8, 98 atom % D | D98944 | DL-Valine-2,3,4,4,4,5,5,5-d8 | SCHEMBL2557671 | DL-Valine-d8 | 2-amino-2,3,4,4,4-pentadeuterio-3-(trideuteriomethyl)butanoic acid | J-013255 | HY-W012889S

Spécifications et pureté

≥98 atom% D,≥98%

Conditions de stockage de stockage

Protected from light,Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98 atom% D,≥98%

Noms et identifiants

• Pubchem Sid: 528764178
• Sourires canoniques: CC(C)C(C(=O)O)N
• IUPAC Name: 2-amino-2,3,4,4,4-pentadeuterio-3-(trideuteriomethyl)butanoic acid
• InChIKey: KZSNJWFQEVHDMF-PIODKIDGSA-N
• INCHI: 1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/i1D3,2D3,3D,4D
• Isomères SMILES: [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])(C(=O)O)N
• CAS alternatif: 516-06-3（Unlabeled）
• Poids moléculaire: 125.2
• 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: Alpha amino acids Methyl-branched fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids 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 - 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Hygroscopic；Light sensitive
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Point de fusion (°C): 295℃ (subl.) (lit.)
• Poids moléculaire: 125.200 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 125.129 Da
• Monoisotopic Mass: 125.129 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 90.400
• Isotope Atom Count: 8
• 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