lasalocid acid-allylamine 1:1 complex | 1192716-42-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: lasalocid acid-allylamine 1:1 complex
• CAS: 1192716-42-9
• 化学式: C₃H₇N*C₃₄H₅₄O₈
• 分子量: 647.893
• InChiKey: VMFOJQVCPQVRQV-HWLWSTNVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.97
• 重原子数：
  46.0
• 可旋转键数：
  14.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  159.54
• 氢给体数：
  5.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  丙烯胺 、 拉沙洛西 以 乙腈 为溶剂， 生成 lasalocid acid-allylamine 1:1 complex
  参考文献：
  名称：

  Lasalocid acid as a lipophilic carrier ionophore for allylamine: Spectroscopic, crystallographic and microbiological investigation

  摘要：

  A new complex of lasalocid acid with allylamine (LAS-AM) is synthesised and studied by X-ray, FT-IR, H-1 NMR and C-13 NMR, ESI MS methods. In the solid state allylamine is protonated and all protons of NH3+ are hydrogen bonded. We show that in the gas, liquid and solid states lasalocid forms 1:1 complexes with allylamine and that its structures of all states are comparable, which indicates that the complex LAS-AM is very stable. The stability of the LAS-AM complex is achieved by some intra-molecular hydrogen bonds. Due to these interactions the outside of the complex is hydrophobic enabling its transport across the biological membranes. This property of the complex is reflected in its anti-microbial activity, which is discussed. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2009.07.021