(2S,4R,5R,6R)-2,4,5-Triacetoxy-6-[(R)-1-acetoxy-2-(dimethoxy-phosphoryloxy)-ethyl]-tetrahydro-pyran-2-carboxylic acid methyl ester | 156943-45-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,4R,5R,6R)-2,4,5-Triacetoxy-6-[(R)-1-acetoxy-2-(dimethoxy-phosphoryloxy)-ethyl]-tetrahydro-pyran-2-carboxylic acid methyl ester
• CAS: 156943-45-2
• 化学式: C₁₉H₂₉O₁₅P
• 分子量: 528.404
• InChiKey: CTAAABYMIQBHTK-VYIWNADRSA-N

物化性质

• 沸点：
  563.1±50.0 °C(predicted)
• 密度：
  1.35±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.42
• 重原子数：
  35.0
• 可旋转键数：
  11.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  185.49
• 氢给体数：
  0.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  (2S,4R,5R,6R)-2,4,5-Triacetoxy-6-[(R)-1-acetoxy-2-(dimethoxy-phosphoryloxy)-ethyl]-tetrahydro-pyran-2-carboxylic acid methyl ester 在 四氯化钛 作用下， 以 二氯甲烷 、 苯 为溶剂， 生成 (2R,4R,5R,6R)-4,5-Diacetoxy-6-[(R)-1-acetoxy-2-(dimethoxy-phosphoryloxy)-ethyl]-2-(bis-benzyloxy-phosphoryloxy)-tetrahydro-pyran-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Towards the synthesis of the putative reaction intermediate in the Kdo8P synthase-catalyzed reaction. Synthesis and evaluation of 3-deoxy--manno-2-octulosonate-2-phosphate

  摘要：

  The new compounds alpha- and beta-Kdo 2-phosphate (8 and 9) were synthesized in order to probe the introduction of the phosphate group at the anomeric center of Kdo. This method was used towards the synthesis of the putative bisphosphate intermediate 4 in Kdo8P synthase-catalyzed reaction.

  DOI：

  10.1016/s0040-4039(00)76861-4
• 作为产物：
  描述：

  重氮甲烷 、 以 甲醇 、 乙酸乙酯 为溶剂， 生成 (2S,4R,5R,6R)-2,4,5-Triacetoxy-6-[(R)-1-acetoxy-2-(dimethoxy-phosphoryloxy)-ethyl]-tetrahydro-pyran-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Towards the synthesis of the putative reaction intermediate in the Kdo8P synthase-catalyzed reaction. Synthesis and evaluation of 3-deoxy--manno-2-octulosonate-2-phosphate

  摘要：

  The new compounds alpha- and beta-Kdo 2-phosphate (8 and 9) were synthesized in order to probe the introduction of the phosphate group at the anomeric center of Kdo. This method was used towards the synthesis of the putative bisphosphate intermediate 4 in Kdo8P synthase-catalyzed reaction.

  DOI：

  10.1016/s0040-4039(00)76861-4