1,7-diamino-4-oxaheptane-1,1,7,7-tetraphosphonic acid

• 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: 1,7-diamino-4-oxaheptane-1,1,7,7-tetraphosphonic acid
• 英文别名: [Oxybis(1-aminopropane-3,1,1-triyl)]tetrakis(phosphonic acid)；[1-amino-3-(3-amino-3,3-diphosphonopropoxy)-1-phosphonopropyl]phosphonic acid
• 化学式: C₆H₂₀N₂O₁₃P₄
• 分子量: 452.125
• InChiKey: MYLXWINTPSUXPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.8
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  291
• 氢给体数：
  10
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  1,7-diamino-4-oxaheptane-1,1,7,7-tetraphosphonic acid 、 samarium(III) acetate 在 ammonium hydroxide 作用下， 以 重水 为溶剂， 生成
  参考文献：
  名称：

  NMR study of 1,7-diamino-4-oxyheptane-1,1,7,7-tetraphosphonic acid interaction with samarium(III) cation

  摘要：

  1,7-Diamino-4-oxypentane-1,1,7,7-tetraphosphonic acid has been synthesized while searching for potential components for Sm-153 radiopharmaceuticals. Its interaction with samarium( III) cation has been studied by C-13 and P-31 NMR spectroscopy in comparison with 1,5-diamino-3-oxypentane-N,N'-tetra(methylenephosphonic acid) which is the ligand component of the osteotropic drug Samarium Sm-153 oxabifore. NMR spectroscopy provides a simple, convenient, and informative method for studying interactions between the ligand and prospective radionuclide cation.

  DOI：

  10.1134/s107036321603021x
• 作为产物：
  描述：

  氰乙基纤维素 在 磷酸 、 三溴化磷 作用下， 以 1,4-二氧六环 为溶剂， 以51%的产率得到1,7-diamino-4-oxaheptane-1,1,7,7-tetraphosphonic acid
  参考文献：
  名称：

  NMR study of 1,7-diamino-4-oxyheptane-1,1,7,7-tetraphosphonic acid interaction with samarium(III) cation

  摘要：

  1,7-Diamino-4-oxypentane-1,1,7,7-tetraphosphonic acid has been synthesized while searching for potential components for Sm-153 radiopharmaceuticals. Its interaction with samarium( III) cation has been studied by C-13 and P-31 NMR spectroscopy in comparison with 1,5-diamino-3-oxypentane-N,N'-tetra(methylenephosphonic acid) which is the ligand component of the osteotropic drug Samarium Sm-153 oxabifore. NMR spectroscopy provides a simple, convenient, and informative method for studying interactions between the ligand and prospective radionuclide cation.

  DOI：

  10.1134/s107036321603021x