[Ga(III)(ethylenediaminetetraacetic acid(-3H))(H2O)] | 21199-67-7

• 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: [Ga(III)(ethylenediaminetetraacetic acid(-3H))(H2O)]
• 英文别名: 2-(3,10,13-trioxo-2,11,12-trioxa-5,8-diaza-1-gallabicyclo[6.3.3]tetradecan-5-yl)acetic acid;hydrate
• CAS: 21199-67-7
• 化学式: C₁₀H₁₃N₂O₈*Ga*H₂O
• 分子量: 376.96
• InChiKey: IUHVZAZPJTUDBZ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -7.28
• 重原子数：
  22.0
• 可旋转键数：
  11.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  195.67
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  4,4'-联吡啶 、 [Ga(III)(ethylenediaminetetraacetic acid(-3H))(H2O)] 以 水 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Petrosyants; Ilyukhin, Russian Journal of Inorganic Chemistry, 2004, vol. 49, # 3, p. 339 - 346

  摘要：

  DOI：
• 作为产物：
  描述：

  gallium(III) nitrate 、 乙二胺四乙酸 在 NH₃ 作用下， 以 水 为溶剂， 以98%的产率得到[Ga(III)(ethylenediaminetetraacetic acid(-3H))(H2O)]
  参考文献：
  名称：

  Petrosyants; Ilyukhin; Buslaev, Russian Journal of Inorganic Chemistry, 1998, vol. 43, # 11, p. 1688 - 1698

  摘要：

  DOI：

文献信息

• Crystal structure of Li(H2O)3[GaEdta]
  作者：A. D. Vasil’ev、N. N. Golovnev

  DOI：10.1134/s1070328409090024

  日期：2009.9

  The ethylenediaminetetraacetate complex Li(H2O)(3)[Ga(Edta)] was synthesized and its crystal structure composed of octahedral (Ga(Edta)(-) anions connected to the Li(H2O) (3) (+) ion through the oxygen atom was studied. Five of the six hydrogen atoms of water molecules are involved in weak hydrogen bonds with the oxygen atoms of four Ga(Edta)(-) complexes, the complex anion is hydrogen-bonded to five water molecules. In addition, shortened contacts C(221)-H(22A)aEuro broken vertical bar O(112) between the Ga(Edta)(-) anions were found. As a result, the molecular packing in the crystal is determined by the three-dimensional lace of hydrogen bonds. The results are compared with published data for the lithium salts of Bi(III), Sb(III), Fe(III), Ni(II), and Hg(II) ethylenediaminetetraacetates.