{Al(gluconate)(OH)2} | 152776-71-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: {Al(gluconate)(OH)2}
• CAS: 152776-71-1
• 化学式: C₆H₁₃AlO₉
• 分子量: 256.145
• InChiKey: YMILRBLJDGKUDX-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  aluminum isopropoxide 、 potassium gluconate 以 水 为溶剂， 以93%的产率得到{Al(gluconate)(OH)2}
  参考文献：
  名称：

  Aluminium carboxylates in aqueous solutions. Part 3. Synthesis and solution state of [Al2(cit)2(H2O)6], [Al2(tart)3(H2O)4] and [Al(gluc)(OH)2](H3cit = citric acid, H2tart = tartaric acid, Hgluc = gluconic acid)

  摘要：

  The complexes [Al2(cit)2(H2O)6] and [Al2(tart)3(H2O)4] (H-3cit = citric acid, H-2tart = tartaric acid) have been prepared by controlled addition of the relevant alpha-hydroxycarboxylic acids to Al(OH), while [Al(gluc)(OH)2] (Hgluc = gluconic acid) was obtained by stoichiometric addition of potassium gluconate to a solution of [Al(H2O)6]3+. The solution state of these complexes was investigated by means of combined IR and H-1 NMR spectroscopies in D2O, at room temperature. In all cases, solutions were analysed at autogenous (2.5-4.0) and at physiological pH values, with the aim of checking the agreement between the solution state as predicted from available thermodynamic data and the real, toxicologically relevant, state stemming from spectroscopic observations. The Al(III)-citrate system is found to behave according to the thermodynamic expectations down to millimolar metal concentrations. On the contrary, the tartrate and gluconate systems do not agree with thermodynamic predictions, albeit differently, at 0.1 and 0.3 mol dm-3 analytical concentrations.

  DOI：

  10.1039/dt9930003229

文献信息

• Aluminium carboxylates in aqueous solutions. Part 3. Synthesis and solution state of [Al2(cit)2(H2O)6], [Al2(tart)3(H2O)4] and [Al(gluc)(OH)2](H3cit = citric acid, H2tart = tartaric acid, Hgluc = gluconic acid)
  作者：Abdiqafar A. Sheikh-Osman、Roberta Bertani、Andrea Tapparo、G. Giorgio Bombi、Benedetto Corain

  DOI：10.1039/dt9930003229

  日期：——

  The complexes [Al2(cit)2(H2O)6] and [Al2(tart)3(H2O)4] (H-3cit = citric acid, H-2tart = tartaric acid) have been prepared by controlled addition of the relevant alpha-hydroxycarboxylic acids to Al(OH), while [Al(gluc)(OH)2] (Hgluc = gluconic acid) was obtained by stoichiometric addition of potassium gluconate to a solution of [Al(H2O)6]3+. The solution state of these complexes was investigated by means of combined IR and H-1 NMR spectroscopies in D2O, at room temperature. In all cases, solutions were analysed at autogenous (2.5-4.0) and at physiological pH values, with the aim of checking the agreement between the solution state as predicted from available thermodynamic data and the real, toxicologically relevant, state stemming from spectroscopic observations. The Al(III)-citrate system is found to behave according to the thermodynamic expectations down to millimolar metal concentrations. On the contrary, the tartrate and gluconate systems do not agree with thermodynamic predictions, albeit differently, at 0.1 and 0.3 mol dm-3 analytical concentrations.