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

• ChemBase编号: 104780
• 分子式: C6H11KO7
• 平均质量: 234.24564
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: potassium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
• IUPAC传统名: potassium D-gluconate
• 别名: 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; 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

登记号

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

理论计算性质

• Log P: -3.4097443
• 摩尔折射率: 49.1081 cm^3
• 极化性: 15.702201 Å^3
• 极化表面积: 141.28 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• Acid pKa: 3.3882055
• 质子受体: 7
• 质子供体: 5
• LogD (pH = 5.5): -5.5085926
• LogD (pH = 7.4): -6.8156137

分子性质

理化性质

• 熔点: 180°C (dec.); 183 °C (dec.)(lit.); ca 180°C dec.
• 比旋光度: [α]20/D +11.7°, c = 1.2 in H2O
• pH值: ~7.5 (25 °C, 50 mg/mL in H2O)

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: LZ5230000
• 德国WGK号: 1
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: room temp

产品相关信息

• 纯度: >98%; ≥99%; ≥99.0% (NT); 99%
• 级别: anhydrous; certified reference material
• 包装: pkg of 1 g
• 适用性: meets USP testing specifications
• 痕量阳离子: 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
• 痕量阴离子: chloride (Cl-): ≤500 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Pharmacopeia Traceability: traceable to USP 1550001
• Empirical Formula (Hill Notation): C6H11KO7

详细说明

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.