sodium gluconate | 146298-99-9

• 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: sodium gluconate
• 英文别名: D-talonic acid ; sodium-compound；D-Talonsaeure; Natrium-Verbindung；sodium;(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoate
• CAS: 146298-99-9
• 化学式: C₆H₁₁O₇*Na
• 分子量: 218.139
• InChiKey: UPMFZISCCZSDND-WRQOPGLOSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -7.82
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  141
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  aluminum chloride hexahydrate 、 sodium gluconate 在 氢氧化钾 作用下， 以 水 为溶剂， 以55.17%的产率得到Al(OH)(gluconate)2*2H2O
  参考文献：
  名称：

  Complexes of Al(III) with d-gluconic acid

  摘要：

  The complexation of Al(III) with D-gluconic acid was studied in solution by means of pH-potentiometry, ESI mass spectrometry and one- and two-dimensional NMR spectroscopy. Six complexes were found to form in solution from pH 2 to 10: [AlL](2+), [AlLH-1](+), [AlLH-2], [AlLH-3](-), [AlL2H-1] and [AlL2H-2](-). NMR spectroscopy indicated very complicated chemical exchange processes between the free ligand and gluconic acid molecules bound in the metal complexes, with different coordination modes resulting in changes both of the chemical shift and of the line shape of the signals. A solid complex [AlL2H-1]center dot 2H(2)O was isolated as a microcrystalline powder and characterized. The structures of the complexes are discussed on the basis of the spectroscopic results and MM force field calculations. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.08.035