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

CAS: 199926-38-0 Cat. No.: D422432 分子式: C₄H₄O₆ · xH₂O 分子量: 148.07 (anhydrous basis)

グレード＆純度 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

概要

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；

仕様

同義語

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

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

パブケム・シド

528769743

カノニカル・スマイル

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+;

異性体SMILES

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

WGKドイツ

3

代替CAS番号

133-38-0

分子量

148.07 (anhydrous basis)

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 融点（°C）: 156°C
• 分子量: 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