5-Keto-D-gluconic acid potassium salt - ≥98%, Sum of isomers , CAS No.91446-96-7

CAS: 91446-96-7 Cat. No.: K351542 Molecular Weight: 232.23 Beilstein Registry Number: 3919618 EC Number: 626-178-5 PubChem CID: 23702137

GRADE & PURITY ≥98%, Sum of isomers

Synonyms

5-Keto-D-gluconic acid potassium salt | W-204061 | Potassium 5-ketogluconate | DTXSID20635732 | POTASSIUM (2R,3S,4S)-2,3,4,6-TETRAHYDROXY-5-OXOHEXANOATE | potassium;(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexanoate | 5-Keto-D-gluconic acid potassium salt, >=

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

5-Keto-D-gluconic acid potassium salt | W-204061 | Potassium 5-ketogluconate | DTXSID20635732 | POTASSIUM (2R, 3S, 4S)-2, 3, 4, 6-TETRAHYDROXY-5-OXOHEXANOATE | potassium;(2R, 3S, 4S)-2, 3, 4, 6-tetrahydroxy-5-oxohexanoate | 5-Keto-D-gluconic acid potassium salt, >=

Specifications & Purity

≥98%, Sum of isomers

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(C(=O)C(C(C(C(=O)[O-])O)O)O)O.[K+]
• IUPAC Name: potassium;(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexanoate
• InChIKey: GSFHMOMWXNDPMM-YMDUGQBDSA-M
• INCHI: 1S/C6H10O7.K/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h3-5,7,9-11H,1H2,(H,12,13);/q;+1/p-1/t3-,4+,5-;/m1./s1
• Isomeric SMILES: C(C(=O)[C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O.[K+]
• Alternate CAS: 5447-60-9
• PubChem CID: 23702137
• Molecular Weight: 232.23
• Beilstein: 3919618

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Hydroxy acids and derivatives
      • Subclass Medium-chain hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Hydroxy acids and derivatives
• Subclass: Medium-chain hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain hydroxy acids and derivatives
• Alternative Parents: Medium-chain fatty acids Beta hydroxy acids and derivatives Hydroxy fatty acids Acyloins Beta-hydroxy ketones Monosaccharides Alpha-hydroxy ketones Carboxylic acid salts 1,2-diols Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Primary alcohols Hydrocarbon derivatives Organic oxides Organic potassium salts
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Beta-hydroxy acid - Acyloin - Monosaccharide - Beta-hydroxy ketone - Fatty acid - Fatty acyl - Alpha-hydroxy ketone - Secondary alcohol - Carboxylic acid salt - 1,2-diol - Ketone - Polyol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organic oxygen compound - Organooxygen compound - Primary alcohol - Organic zwitterion - Carbonyl group - Organic salt - Organic potassium salt - Hydrocarbon derivative - Alcohol - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
• 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: 232.230 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 231.999 Da
• Monoisotopic Mass: 231.999 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 206.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 2

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