[(2R)-3-[[(1R,2R,3S,4R,5R,6R)-3-bis(phenylmethoxy)phosphoryloxy-2,4,6-tris(phenylmethoxy)-5-phenylmethoxycarbonyloxycyclohexyl]oxy-phenylmethoxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate | 1044742-32-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: [(2R)-3-[[(1R,2R,3S,4R,5R,6R)-3-bis(phenylmethoxy)phosphoryloxy-2,4,6-tris(phenylmethoxy)-5-phenylmethoxycarbonyloxycyclohexyl]oxy-phenylmethoxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate
• CAS: 1044742-32-6
• 化学式: C₇₅H₉₀O₁₈P₂
• 分子量: 1341.48
• InChiKey: CVUDRNKMEVNANL-PUMQJWSFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.1
• 重原子数：
  95
• 可旋转键数：
  47
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  205
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  [(2R)-3-[[(1R,2R,3S,4R,5R,6R)-3-bis(phenylmethoxy)phosphoryloxy-2,4,6-tris(phenylmethoxy)-5-phenylmethoxycarbonyloxycyclohexyl]oxy-phenylmethoxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate 在 palladium dihydroxide 氢气 作用下， 以 水 、 叔丁醇 为溶剂， 反应 18.0h， 以61%的产率得到
  参考文献：
  名称：

  Catalyst-dependent syntheses of phosphatidylinositol-5-phosphate–DiC8 and its enantiomer

  摘要：

  Peptide-based catalysts have been applied to the enantioselective syntheses of the title Compounds, with this being the first report of the synthesis of an ent-PI5P analogue. The key steps in the synthesis involve asymmetric phosphorylation catalysis. Additional maneuvers were developed with a protecting groups scheme that enabled efficient, streamlined syntheses of these important mediators of biochemical events. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.03.037
• 作为产物：
  描述：

  C₇₅H₉₀O₁₇P₂ 在 双氧水 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 1.0h， 以0.105 g的产率得到[(2R)-3-[[(1R,2R,3S,4R,5R,6R)-3-bis(phenylmethoxy)phosphoryloxy-2,4,6-tris(phenylmethoxy)-5-phenylmethoxycarbonyloxycyclohexyl]oxy-phenylmethoxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate
  参考文献：
  名称：

  Catalyst-dependent syntheses of phosphatidylinositol-5-phosphate–DiC8 and its enantiomer

  摘要：

  Peptide-based catalysts have been applied to the enantioselective syntheses of the title Compounds, with this being the first report of the synthesis of an ent-PI5P analogue. The key steps in the synthesis involve asymmetric phosphorylation catalysis. Additional maneuvers were developed with a protecting groups scheme that enabled efficient, streamlined syntheses of these important mediators of biochemical events. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.03.037