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

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

등급 & 순도 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

개요

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；

사양

동의어

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

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528769743

정식 스마일

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+;

이성체 SMILES

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

WGK 독일

3

대체 CAS

133-38-0

분자량

148.07 (anhydrous basis)

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 녹는점(°C): 156°C
• 분자량: 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