L-(-)-Malic acid - CP , CAS No.97-67-6

CAS: 97-67-6 Cat. No.: M105696 Formule: C₄H₆O₅ Poids moléculaire: 134.09 Beilstein Registry Number: 1723540 Numéro CE: 202-601-5

GRADE & PURITY CP

Synonyms

Apple acid | L-2-Hydroxybutanedioic acid | malic-acid | L-Maleic Acid | L-MALIC ACID [WHO-DD] | M0022 | STK048584 | (S)-Hydroxybutanedioic acid | (S)-hydroxy-Butanedioic acid | 3-08-00-03357 (Beilstein Handbook Reference) | 4elc | L-(-)-Malic acid, BioXtr

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonymes

Apple acid | L-2-Hydroxybutanedioic acid | malic-acid | L-Maleic Acid | L-MALIC ACID [WHO-DD] | M0022 | STK048584 | (S)-Hydroxybutanedioic acid | (S)-hydroxy-Butanedioic acid | 3-08-00-03357 (Beilstein Handbook Reference) | 4elc | L-(-)-Malic acid, BioXtr

Spécifications et pureté

CP

Conditions de stockage de stockage

Protected from light,Room temperature,Desiccated

Expédié en

Normal

Grade

CP

Noms et identifiants

• Pubchem Sid: 508810683
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508810683
• Sourires canoniques: C(C(C(=O)O)O)C(=O)O
• IUPAC Name: (2S)-2-hydroxybutanedioic acid
• InChIKey: BJEPYKJPYRNKOW-REOHCLBHSA-N
• INCHI: 1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
• Isomères SMILES: C([C@@H](C(=O)O)O)C(=O)O
• WGK Allemagne: 3
• Poids moléculaire: 134.09
• Beilstein: 1723540
• 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: malic 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive.Moisture sensitive
• Rotation spécifique [α]: -6.5° (C=10,Acetone)
• Point d'éclair (°C): 220°C
• Point de fusion (°C): 101-103°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: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1