Azanium;2-(3,10,13-trioxo-2,11,12-trioxa-5,8-diaza-1-bismabicyclo[6.3.3]tetradecan-5-yl)acetate | 94979-27-8

• 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: Azanium;2-(3,10,13-trioxo-2,11,12-trioxa-5,8-diaza-1-bismabicyclo[6.3.3]tetradecan-5-yl)acetate
• CAS: 94979-27-8
• 化学式: Bi*C₁₀H₁₂N₂O₈*H₄N
• 分子量: 515.233
• InChiKey: TUYPHOUPBZBFDC-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -3.64
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  127
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  neodymium(III) nitrate hexahydrate 、 Azanium;2-(3,10,13-trioxo-2,11,12-trioxa-5,8-diaza-1-bismabicyclo[6.3.3]tetradecan-5-yl)acetate 、 水 以 水 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  A novel 3D Nd(III)–Bi(III) coordination polymer generated from EDTA ligand

  摘要：

  Novel 3D coordination polymer {NdBi(EDTA)(NO(3))(2)(H(2)O)(7.22)} with unprecedented type of coordination of EDTA ligand has been synthesised. It represents the first structurally characterised heterometallic lanthanide-bismuth polyaminocarboxylate and the first example of the Bi(EDTA)(-) moiety with coordinated NO(3)(-) anions. One of the two NO(3)(-) anions is disordered in two resolvable positions with the 0.74:0.26 occupancy factors. The major component can be formulated as [(H(2)O)(5)Nd(mu(4)-EDTA)Bi(NO(3))(2)](.)3H(2)O (1a), while the minor component can be described by [(NO(3))(H(2)O)(3)Nd(mu(4)-EDTA)Bi(NO(3))](.)2H(2)O (1b). (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2004.03.003