Dihydroxyfumaric acid hydrate - 10mM in DMSO , CAS No.199926-38-0

CAS: 199926-38-0 Cat. No.: D422432 Summenformel: C₄H₄O₆ · xH₂O Molekulargewicht: 148.07 (anhydrous basis)

QUALITÄT & REINHEIT 10mM in DMSO

Synonyms

Dihydroxyfumaric acid hydrate|199926-38-0|(E)-2,3-Dihydroxybut-2-enedioic acid;hydrate|(2E)-2,3-Dihydroxy-2-butenedioic Acid Hydrate (1:?)|Dihydroxyfumaric acid (hydrate)|2,3-Dihydroxyfumaricacidhydrate|SCHEMBL2494050|SCHEMBL2494054|DTXSID201036030|2,3-Di

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

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；

Spezifikationen

Synonyme

Dihydroxyfumaric acid hydrate | 199926-38-0 | (E)-2,3-Dihydroxybut-2-enedioic acid;hydrate | (2E)-2,3-Dihydroxy-2-butenedioic Acid Hydrate (1:?) | Dihydroxyfumaric acid (hydrate) | 2,3-Dihydroxyfumaricacidhydrate | SCHEMBL2494050 | SCHEMBL2494054 | DTXSID201036030 | 2,3-Di

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Pubchem Sid

528769743

Kanonisches Lächeln

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+;

Isomere SMILES

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

WGK Deutschland

3

Alternative CAS-Nummer

133-38-0

Molekulargewicht

148.07 (anhydrous basis)

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 156°C
• Molekulargewicht: 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