| 1048658-03-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• CAS: 1048658-03-2
• 化学式: C₂H₃O₅P*O₂U
• 分子量: 408.044
• InChiKey: MQIAUKGMFQXMAX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.25
• 重原子数：
  11.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  134.63
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  uranyl nirate hexahydrate 、 磷酰基乙酸 以 水 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  Structural Variation within Homometallic Uranium(VI) Carboxyphosphonates: In Situ Ligand Synthesis, Directed Assembly, Metal−Ligand Coordination and Hydrogen Bonding

  摘要：

  Four 2D uranium(VI) carboxyphosphonates, (UO2)(O3PCH2CO2H) (1), (UO2)(4)(HO3PCH2CO2)(O3PCH2CO2)(2)(H2O)(4)center dot 3H(2)O (2), (UO2)(O3PCH2CO2)center dot NH4 center dot H2O (3), and (UO2)(3)(O3PCH(CH3)CO2)(2)(O3PCH(CH3)CO2H)center dot 2NH(4)center dot H2O (4) have been prepared using hydrothermal techniques. Their crystal structures have been determined by single-crystal X-ray diffraction, and structural features have been confirmed by infrared spectroscopy, 1, 2, and 3 are constructed from the UO22+ cation and phosphonoacetate, (O3PCH2CO2), molecules, whereas 4 consists of U(VI) coordinated to 2-phosphonopropionate, (O3PCH(CH3)CO2), units. The thermal and fluorescent behaviors of these materials have also been investigated. The organophosphonate linkers observed in 2 and 4 were produced via the in situ hydrolysis of trialkylphosphonate starting materials.

  DOI：

  10.1021/ic800683m