Pr(diethylenetriaminepentaacetate)(2-) | 76147-47-2

• 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: Pr(diethylenetriaminepentaacetate)(2-)
• 英文别名: Praseodymium dtpa；2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;praseodymium(3+)
• CAS: 76147-47-2
• 化学式: C₁₄H₁₈N₃O₁₀*Pr
• 分子量: 529.219
• InChiKey: YBHUKTJVJRSNOC-UHFFFAOYSA-I

计算性质

• 辛醇/水分配系数(LogP)：
  -9.36
• 重原子数：
  28
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  210
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  氯化镨 、 pentasodium diethylenetriaminepentaacetate 以 重水 为溶剂， 生成 Pr(diethylenetriaminepentaacetate)(2-)
  参考文献：
  名称：

  Solution structure and dynamics of DTPA-Ln(III) complexes (DTPA=diethylene triamine penta acetate; LnLa, Pr, Eu)

  摘要：

  Variable temperature H-1 and C-13 NMR spectra and proton and carbon longitudinal relaxation times allow the complete characterization of the solution structure and dynamics of three Ln(III) complexes of DTPA (Ln = La, Pr and Eu). Our results show that a rapid interconversion between octadentate structures occurs on the NMR time scale which can be 'frozen out' at low temperature for Pr and Eu complexes.

  DOI：

  10.1016/s0020-1693(00)91917-0

文献信息

• Jenkins, Bruce G.; Lauffer, Randall B., Inorganic Chemistry, 1988, vol. 27, # 26, p. 4730 - 4738
  作者：Jenkins, Bruce G.、Lauffer, Randall B.

  DOI：——

  日期：——
• Solution structure and dynamics of DTPA-Ln(III) complexes (DTPA=diethylene triamine penta acetate; LnLa, Pr, Eu)
  作者：Silvio Aime、Mauro Botta

  DOI：10.1016/s0020-1693(00)91917-0

  日期：1990.11

  Variable temperature H-1 and C-13 NMR spectra and proton and carbon longitudinal relaxation times allow the complete characterization of the solution structure and dynamics of three Ln(III) complexes of DTPA (Ln = La, Pr and Eu). Our results show that a rapid interconversion between octadentate structures occurs on the NMR time scale which can be 'frozen out' at low temperature for Pr and Eu complexes.