Potassium D-gluconate - PharmPure™, USP, used for Potassium D-gluconate is used in a newly developed process called ARS to prevent shrinkage in dyed wool fabrics. various applications , CAS No.299-27-4

CAS: 299-27-4 Cat. No.: P108904 Formula: C₆H₁₁KO₇ Molecular Weight: 234.25 Beilstein Registry Number: 3919448 EC Number: 206-074-2

GRADE & PURITY PharmPure™, USP

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

PharmPure™, USP

Application

Potassium D-gluconate is used in a newly developed process called ARS to prevent shrinkage in dyed wool fabrics.

Storage

Room temperature

Shipped In

Normal

Grade

PharmPure™, USP

Action Type

INHIBITOR

Names and Identifiers

Pubchem Sid

504768532

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768532

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

• x_specific_rotation: 12 ° (C=2, H2O)
• x_melt_point_char: 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