(2R,3S,4S,5R,6R)-2-((benzoyloxy)methyl)-6-(4-((3aR,4S,7R,7aS)-7-hydroxy-2,2,4-trimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)butoxy)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate | 191276-14-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (2R,3S,4S,5R,6R)-2-((benzoyloxy)methyl)-6-(4-((3aR,4S,7R,7aS)-7-hydroxy-2,2,4-trimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)butoxy)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate
• CAS: 191276-14-9
• 化学式: C₄₇H₅₁NO₁₃
• 分子量: 837.921
• InChiKey: KKXUKUVPRKMCEU-BZOJDUDCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.63
• 重原子数：
  61.0
• 可旋转键数：
  15.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  165.59
• 氢给体数：
  1.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  (2R,3S,4S,5R,6R)-2-((benzoyloxy)methyl)-6-(4-((3aR,4S,7R,7aS)-7-hydroxy-2,2,4-trimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)butoxy)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate 在 sodium hydroxide 、 三氟乙酸 作用下， 生成
  参考文献：
  名称：

  Synthesis of inhibitors of α-1,3-fucosyltransferase

  摘要：

  A new class of compounds 1, structurally modified derivatives of the a-fucosidase inhibitor deoxyfuconojirimycin 2, has been prepared and found to display activity as inhibitors of alpha-1,3-fucosyltransferase in the mu M range. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00189-3
• 作为产物：
  描述：

  ((3aS,4R,6R,6aS)-6-Benzyloxy-2,2,6-trimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-methanol 在 palladium on activated charcoal 、 钯 吡啶 、 sodium azide 、 氢气 、 ammonium formate 作用下， 以 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 生成 (2R,3S,4S,5R,6R)-2-((benzoyloxy)methyl)-6-(4-((3aR,4S,7R,7aS)-7-hydroxy-2,2,4-trimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)butoxy)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate
  参考文献：
  名称：

  Synthesis of inhibitors of α-1,3-fucosyltransferase

  摘要：

  A new class of compounds 1, structurally modified derivatives of the a-fucosidase inhibitor deoxyfuconojirimycin 2, has been prepared and found to display activity as inhibitors of alpha-1,3-fucosyltransferase in the mu M range. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00189-3