Potassium tartrate - GR , CAS No.921-53-9

CAS: 921-53-9 Cat. No.: P112435 Formula: C₄H₄O₆K₂ Molecular Weight: 226.27 EC Number: 213-067-8

GRADE & PURITY GR

Synonyms

921-53-9|Dipotassium;2,3-dihydroxybutanedioate|potassium tartarate|Potassiumtartrate&nbs|SCHEMBL80796|AVTYONGGKAJVTE-UHFFFAOYSA-L|AKOS015836341|AS-81988

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

921-53-9 | Dipotassium;2,3-dihydroxybutanedioate | potassium tartarate | Potassiumtartrate&nbs | SCHEMBL80796 | AVTYONGGKAJVTE-UHFFFAOYSA-L | AKOS015836341 | AS-81988

Specifications & Purity

GR

Storage

Room temperature

Shipped In

Normal

Grade

GR

Names and Identifiers

Pubchem Sid

508816729

Canonical Smiles

C(C(C(=O)[O-])O)(C(=O)[O-])O.[K+].[K+]

IUPAC Name

dipotassium;2,3-dihydroxybutanedioate

InChIKey

AVTYONGGKAJVTE-UHFFFAOYSA-L

INCHI

1S/C4H6O6.2K/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

Isomeric SMILES

C(C(C(=O)[O-])O)(C(=O)[O-])O.[K+].[K+]

Molecular Weight

226.27

Reaxy-Rn

7838980

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7838980&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 Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid salts 1,2-diols Carboxylic acids Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Short-chain hydroxy acid - Dicarboxylic acid or derivatives - Monosaccharide - Fatty acid - 1,2-diol - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Organic potassium salt - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organic salt - Organic cation - 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Molecular Weight: 226.270 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 225.928 Da
• Monoisotopic Mass: 225.928 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