L-(−)-Malic acid disodium salt - ≥95% , CAS No.138-09-0

CAS: 138-09-0 Cat. No.: L332299 Molecular Weight: 178.05 EC Number: 205-313-8

GRADE & PURITY ≥95%

Synonyms

disodium (-)-malate | sodium (S)-2-hydroxysuccinate | Butanedioic acid, hydroxy-, disodium salt, (S)- | Disodium L-malate | l-Malic acid, sodium salt | Q27163168 | (-)-sodium malate | EN300-7698131 | Sodium L-malate | Sodium malate, (-)- | WPUMTJGUQUYPIV-

Storage

Room temperature

Shipped In

Normal

Overview

L-(?)-Malic acid disodium salt is a dicarboxylic acid used to differentiate microorganisms based on their varying metabolic properties. It is a source of CO2 in the Calvin cycle and an intermediate of the citric acid cycle.

Specifications

Synonyms

disodium (-)-malate | sodium (S)-2-hydroxysuccinate | Butanedioic acid, hydroxy-, disodium salt, (S)- | Disodium L-malate | l-Malic acid, sodium salt | Q27163168 | (-)-sodium malate | EN300-7698131 | Sodium L-malate | Sodium malate, (-)- | WPUMTJGUQUYPIV-

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Product Properties

• Ki Data: Carbonic anhydrase: Ki= 87.7 μM (Candida albicans ); CA II: Ki= 1.87 mM (human)

Names and Identifiers

• Pubchem Sid: 488195671
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195671
• Canonical Smiles: C(C(C(=O)[O-])O)C(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;(2S)-2-hydroxybutanedioate
• InChIKey: WPUMTJGUQUYPIV-JIZZDEOASA-L
• INCHI: 1S/C4H6O5.2Na/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2/t2-;;/m0../s1
• Isomeric SMILES: C([C@@H](C(=O)[O-])O)C(=O)[O-].[Na+].[Na+]
• WGK Germany: 3
• RTECS: ON7350000
• Molecular Weight: 178.05
• Reaxy-Rn: 5658574
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5658574&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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 Secondary alcohols Carboxylic acid salts Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Short-chain hydroxy acid - Dicarboxylic acid or derivatives - Fatty acid - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organic sodium salt - Organic salt - 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: 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

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Carbonic anhydrase (69 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: n20D~1.53 (Predicted)
• Molecular Weight: 178.050 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 177.985 Da
• Monoisotopic Mass: 177.985 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 118.000
• 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: 3

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