Fumaric acid-2,3-d₂ - ≥98 atom% D,≥98% , CAS No.24461-32-3

CAS: 24461-32-3 Cat. No.: F471975 Fórmula: C₄H₂D₂O₄ Peso molecular: 118.08 Número EC: 687-252-0

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

d2-fumaric | Fumaric acid-2,3-d2 | Fumaric acid-2,3-d2, 98 atom % D | Fumaric acid-d2 | HY-W015883S3 | SCHEMBL16777805 | AKOS015893971 | D97878 | J-015535 | (2E)-(?H?)but-2-enedioic acid | A935593 | DTXSID10480197 | SCHEMBL15829515 | (E)-2,3-dideuteriobut

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Descripción general

Clinical MS, Metabolism, Metabolomics, MS/MS Standards

Specifications

Sinónimos

d2-fumaric | Fumaric acid-2,3-d2 | Fumaric acid-2,3-d2, 98 atom % D | Fumaric acid-d2 | HY-W015883S3 | SCHEMBL16777805 | AKOS015893971 | D97878 | J-015535 | (2E)-(?H?)but-2-enedioic acid | A935593 | DTXSID10480197 | SCHEMBL15829515 | (E)-2,3-dideuteriobut

Especificaciones y pureza

≥98 atom% D,≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98 atom% D,≥98%

Nombres e identificadores

• Pubchem Sid: 504766967
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766967
• Sonrisas canónicas: C(=CC(=O)O)C(=O)O
• IUPAC Name: (E)-2,3-dideuteriobut-2-enedioic acid
• InChIKey: VZCYOOQTPOCHFL-FBBQFRKLSA-N
• INCHI: 1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+/i1D,2D
• Isómeros SMILES: [2H]/C(=C(/[2H])\C(=O)O)/C(=O)O
• CAS alternativo: 203-743-0 (Unlabeled)
• Peso molecular: 118.08
• Reaxy-Rn: 8132074
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8132074&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Unsaturated fatty acids Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acyl - Fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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: Light sensitive；Hygroscopic
• Punto de fusión (°C): 299-300 °C (subl.) (lit.)
• Peso molecular: 118.080 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 118.024 Da
• Monoisotopic Mass: 118.024 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 119.000
• Isotope Atom Count: 2
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1