La(diethylene-N,N,N',N'',N''-pentaacetate) | 92923-34-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: La(diethylene-N,N,N',N'',N''-pentaacetate)
• 英文别名: 2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;lanthanum(3+)
• CAS: 92923-34-7
• 化学式: C₁₄H₂₀N₃O₁₀*La
• 分子量: 529.232
• InChiKey: OJARVAAKLAWGCY-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -6.69
• 重原子数：
  28.0
• 可旋转键数：
  16.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  204.71
• 氢给体数：
  2.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  La(diethylene-N,N,N',N'',N''-pentaacetate) 、 zinc(II) chloride 以 水 、 重水 为溶剂， 生成 Zn(diethylene-N,N,N',N'',N''-pentaacetate)(1-)
  参考文献：
  名称：

  Multinuclear NMR study of the interactions between the La(III) complex of DTPA-bis(glucamide) and Zn(II) or borate

  摘要：

  The interaction between ZnCl2 and La(DTPA) (DTPA = diethylenetriamine-N,N,N',N ",N "-penta-acetate), La(DTPA-PA(2)) (DTPA-PA(2) = DTPA-bis(propylamide)) or La(DTPA-GlucA(2)) (DTPA-GlucA(2) = DTPA-bis(glucamide)) has been studied using C-13 and La-139 NMR. Extensive transmetallation occurs, which is assisted by interaction between the ionic species formed. It is shown that these interactions involve mainly the DTPA backbone of the ligands. The sugar side-chains of La(DTPA-GlucA(2)) have no significant affinity for the metal ions. With the aid of B-11 NMR it is demonstrated that borate does interact with the polyhydroxy side-chains. The stoichiometries of the various borate ester species derived from DTPA-GlucA(2) and its Ln(III) complexes are investigated by recording the corresponding Job plots. A major species has a borate moiety linking the two glucitol side-chains under the formation of a macrocyclic compound. The stability constants of the occurring borate ester species as determined by B-11 NMR are reported. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0020-1693(97)05752-6