potassium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate

• ChemBase ID: 104780
• Molecular Formular: C6H11KO7
• Molecular Mass: 234.24564
• Monoisotopic Mass: 234.01418437
• SMILES: [K+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-]
• Canonical SMILES: OC[C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O.[K+]
• InChI: 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
• InChIKey: HLCFGWHYROZGBI-JJKGCWMISA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
• IUPAC Traditional name: potassium D-gluconate
• Synonyms: Potassium gluconate; Gluconsan; Kaon elixir; Potassuril; D-GLUCONIC ACID POTASSIUM SALT; Potassium gluconate; Potassium D-gluconate; Potassium D-gluconate; 2,3,4,5,6-Pentahydroxycaproic acid potassium salt; D-Gluconic acid potassium salt; 2,3,4,5,6-五羟基己酸 钾盐; 葡萄糖酸钾; D-葡萄糖酸 钾盐; 葡萄糖酸钾; D-葡糖酸钾

Database IDs

• CAS Number: 299-27-4
• EC Number: 206-074-2
• MDL Number: MFCD00064211
• Beilstein Number: 3919448
• PubChem SID: 24895173; 24898248; 162091760
• PubChem CID: 16760467
• E Number: E577

CALCULATED PROPERTIES

• Log P: -3.4097443
• Molar Refractivity: 49.1081 cm^3
• Polarizability: 15.702201 Å^3
• Polar Surface Area: 141.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 3.3882055
• H Acceptors: 7
• H Donor: 5
• LogD (pH = 5.5): -5.5085926
• LogD (pH = 7.4): -6.8156137

PROPERTIES

Physical Property

• Melting Point: 180°C (dec.); 183 °C (dec.)(lit.); ca 180°C dec.
• Optical Rotation: [α]20/D +11.7°, c = 1.2 in H2O
• pH: ~7.5 (25 °C, 50 mg/mL in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: LZ5230000
• German water hazard class: 1
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: room temp

Product Information

• Purity: >98%; ≥99%; ≥99.0% (NT); 99%
• Grade: anhydrous; certified reference material
• Packaging: pkg of 1 g
• Suitability: meets USP testing specifications
• Cation Traces: Ca: ≤100 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; Mg: ≤10 mg/kg; Mn: ≤5 mg/kg; Na: ≤1500 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤500 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Pharmacopeia Traceability: traceable to USP 1550001
• Empirical Formula (Hill Notation): C6H11KO7

DETAILS

MP Biomedicals - 02157194

Potassium Salt
Purity: >98%
Crystalline

Sigma Aldrich - PHR1130

General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34.
Other Notes
Values of analytes vary lot to lot.