Dihydroxyfumaric acid hydrate - ≥98% , CAS No.199926-38-0

CAS: 199926-38-0 Cat. No.: D300533 Formule: C₄H₄O₆ · xH₂O Poids moléculaire: 148.07 (anhydrous basis)

QUALITÉ & PURETÉ ≥98%

Synonyms

BS-42157 | 2,3-Dihydroxyfumaricacidhydrate | MFCD00149286 | Dihydroxyfumaric acid hydrate | DTXSID201036030 | (E)-2,3-Dihydroxybut-2-enedioic acid;hydrate | (2E)-2,3-Dihydroxy-2-butenedioic Acid Hydrate (1:?) | SCHEMBL2494050 | SCHEMBL2494054

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Vue d’ensemble

Dihydroxyfumaric acid is a known generator of superoxide anions and by hydroxyl free radicals. Dihydroxyfumarate exposure can cause insulin inhibitory effects. It can spontaneously convert to hydroxypyruvate or to oxaloglycolate；

Spécifications

Synonymes

BS-42157 | 2,3-Dihydroxyfumaricacidhydrate | MFCD00149286 | Dihydroxyfumaric acid hydrate | DTXSID201036030 | (E)-2,3-Dihydroxybut-2-enedioic acid;hydrate | (2E)-2,3-Dihydroxy-2-butenedioic Acid Hydrate (1:?) | SCHEMBL2494050 | SCHEMBL2494054

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488202221

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202221

Sourires canoniques

C(=C(C(=O)O)O)(C(=O)O)O.O

IUPAC Name

(E)-2,3-dihydroxybut-2-enedioic acid;hydrate

InChIKey

DDYHTXQJGPQZGN-TYYBGVCCSA-N

INCHI

1S/C4H4O6.H2O/c5-1(3(7)8)2(6)4(9)10;/h5-6H,(H,7,8)(H,9,10);1H2/b2-1+;

Isomères SMILES

C(=C(/C(=O)O)\O)(\C(=O)O)/O.O

WGK Allemagne

3

CAS alternatif

133-38-0

Poids moléculaire

148.07 (anhydrous basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxy fatty acids
• Alternative Parents: Unsaturated fatty acids Dicarboxylic acids and derivatives Vinylogous acids Enediols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydroxy fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Vinylogous acid - Enediol - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group.
• 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: Moisture & Light sensitive
• Point de fusion (°C): 156°C
• Poids moléculaire: 166.090 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 166.011 Da
• Monoisotopic Mass: 166.011 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 180.000
• Isotope Atom Count: 0
• 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: 2

XLogP3