Calcium;[3-amino-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate | 1253978-59-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: Calcium;[3-amino-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate
• CAS: 1253978-59-4；1253978-60-7
• 化学式: C₃H₉NO₇P₂*Ca
• 分子量: 273.132
• InChiKey: XYMJVVZEUQOLOA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.31
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  167
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  帕米膦酸 在 calcium chloride 作用下， 以 水 为溶剂， 生成 Calcium;[3-amino-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate 、 、
  参考文献：
  名称：

  Complexation of Ca2+ and Mg2+ with aminopropylidenebisphosphonic acids in aqueous and micellar solutions of cetylpyridinium chloride

  摘要：

  The dissociation constants and stability constants of calcium and magnesium complexes with 3-amino-1-hydroxypropylidenebisphosphonic, 3-dimethylamino-1-hydroxypropylidenebisphosphonic and 3-morpholino-1-hydroxypropylidenebisphosphonic acids have been obtained in this work in aqueous solutions (I = 0.1 M, KCl) and 0.1 M micellar solutions of cetylpyridinium chloride (CPC) by pH-potentiometric titrations. The increase of aminopropylidenebisphosphonic acid strength was observed in micellar CPC solutions. The micellar media of CPC affects in a different way on the stability of calcium and magnesium ions complexes with anions of aminopropylidenebisphosphonic acids. The pronounced effect of micellar CPC media on dissociation of 3-morpholino-1-hydroxypropylidenebisphosphonic acid and its complexation with calcium and magnesium ions was observed. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molliq.2010.03.014