Sodium Tartrate - ≥98% , CAS No.868-18-8

CAS: 868-18-8 Cat. No.: S304799 Peso molecular: 194.05 Número EC: 212-773-3 PubChem CID: 13355

GRADE & PURITY ≥98%

Synonyms

disodium 2,3-dihydroxybutanedioate | Disodium tartrate | sodium 2,3-dihydroxysuccinate | sodium-tartrate

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

disodium 2, 3-dihydroxybutanedioate | Disodium tartrate | sodium 2, 3-dihydroxysuccinate | sodium-tartrate

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181836
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181836
• Sonrisas canónicas: C(C(C(=O)[O-])O)(C(=O)[O-])O.[Na+].[Na+]
• IUPAC Name: disodium;2,3-dihydroxybutanedioate
• InChIKey: HELHAJAZNSDZJO-UHFFFAOYSA-L
• INCHI: 1S/C4H6O6.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2
• Isómeros SMILES: C(C(C(=O)[O-])O)(C(=O)[O-])O.[Na+].[Na+]
• PubChem CID: 13355
• Peso molecular: 194.05

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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 Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid salts 1,2-diols Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Short-chain hydroxy acid - Fatty acid - Dicarboxylic acid or derivatives - Monosaccharide - 1,2-diol - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Aliphatic acyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°C): 209.4ºC
• Punto de ebullición (°C): 399.3ºC
• Peso molecular: 194.050 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 193.98 Da
• Monoisotopic Mass: 193.98 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 123.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

Referencias

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