Potassium D-gluconate - ≥99% , CAS No.299-27-4

CAS: 299-27-4 Cat. No.: P108903 Molecular Weight: 234.25 Beilstein Registry Number: 3919448 EC Number: 206-074-2

GRADE & PURITY ≥99%

Synonyms

POTASSIUM GLUCONATE [HSDB] | Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-((((3,4-dichlorophenyl)amino)carbonyl)amino)phenoxy)-, monosodium salt | HY-Y0569C | 12H3K5QKN9 | AS-83530 | Gluconsan-K (TN) | Sirokal | CHEBI:32032 | D-Gluconic acid, potassium sa

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

POTASSIUM GLUCONATE [HSDB] | Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-((((3, 4-dichlorophenyl)amino)carbonyl)amino)phenoxy)-, monosodium salt | HY-Y0569C | 12H3K5QKN9 | AS-83530 | Gluconsan-K (TN) | Sirokal | CHEBI:32032 | D-Gluconic acid, potassium sa

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Potassium gluconate, the potassium salt of gluconic acid, is used in cell culture and large-scale applications such as cleaning of metal surfaces and fertilizers.

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488199433
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199433
• Canonical Smiles: C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[K+]
• IUPAC Name: potassium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
• InChIKey: HLCFGWHYROZGBI-JJKGCWMISA-M
• INCHI: 1S/C6H12O7.K/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1/t2-,3-,4+,5-;/m1./s1
• Isomeric SMILES: C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[K+]
• WGK Germany: 1
• RTECS: LZ5230000
• Molecular Weight: 234.25
• Beilstein: 3919448
• Reaxy-Rn: 24654963
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24654963&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sugar acids and derivatives
• Alternative Parents: Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Hydroxy fatty acids Monosaccharides Secondary alcohols Carboxylic acid salts Polyols Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organic potassium salts Organic zwitterions Carbonyl compounds Primary alcohols
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Gluconic_acid - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Hydroxy acid - Fatty acyl - Fatty acid - Monosaccharide - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Polyol - Organic potassium salt - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic zwitterion - Alcohol - Primary alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
• 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

• Solubility: Soluble in water. (50 mg/ml).
• Specific Rotation[α]: 12 ° (C=2, H2O)
• Melt Point(°C): 178-181°C
• Molecular Weight: 234.250 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 234.014 Da
• Monoisotopic Mass: 234.014 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 176.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

XLogP3

References

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2. Fuyou Du, Zhenfang Cheng, Wei Tan, Lingshun Sun, Guihua Ruan.  (2019)  Development of sulfur doped carbon quantum dots for highly selective and sensitive fluorescent detection of Fe2+ and Fe3+ ions in oral ferrous gluconate samples.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:31605972] [10.1016/j.saa.2019.117602]

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