DL-Malic acid - AR, ≥99%(T) , CAS No.6915-15-7

CAS: 6915-15-7 Cat. No.: M101126 Formule: C₄H₆O₅ Poids moléculaire: 134.09 Beilstein Registry Number: 1723539 Numéro CE: 230-022-8

QUALITÉ & PURETÉ AR, ≥99%(T)

Synonyms

DL-Hydroxybutanedioic acid | (±)-2-Hydroxysuccinic acid

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Spécifications

Synonymes

DL-Hydroxybutanedioic acid | (±)-2-Hydroxysuccinic acid

Spécifications et pureté

AR, ≥99%(T)

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged,Desiccated

Expédié en

Normal

Grade

AR

Pureté

≥99%(T)

Noms et identifiants

Pubchem Sid

508810499

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810499

Sourires canoniques

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

IUPAC Name

2-hydroxybutanedioic acid

InChIKey

BJEPYKJPYRNKOW-UHFFFAOYSA-N

INCHI

1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)

Isomères SMILES

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

WGK Allemagne

3

RTECS

ON7175000

CAS alternatif

617-48-1

Poids moléculaire

134.09

Beilstein

1723539

Reaxy-Rn

1723539

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1723539&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Short-chain hydroxy acids and derivatives Fatty acids and conjugates Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Secondary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Short-chain hydroxy acid - Beta-hydroxy acid - Fatty acid - Dicarboxylic acid or derivatives - Alpha-hydroxy acid - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
• External Descriptors: C4-dicarboxylic acid - 2-hydroxydicarboxylic acid

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

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PKD2L1 Tchem Polycystic kidney disease 2-like 1 protein (0 Activities)

Discover Target: PKD2L1

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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EGLN2 Tclin Hypoxia-inducible factor prolyl hydroxylase 1 (404 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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EGLN1 Tclin Egl nine homolog 1 (1702 Activities)

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EGLN3 Tclin Egl nine homolog 3 (250 Activities)

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HIF1AN Tbio Hypoxia-inducible factor 1-alpha inhibitor (79 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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ampC Beta-lactamase AmpC (62480 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Plasmodium falciparum (966862 Activities)

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Meloidogyne incognita (862 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in acetone, ether, water, methanol and ethanol.
• Sensibilité: Light sensitive.
• Point d'éclair (°C): 203 °C
• Point de fusion (°C): 129-133°C
• Poids moléculaire: 134.090 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 134.022 Da
• Monoisotopic Mass: 134.022 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 129.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1