[(2R,3R,4S,5R,6R)-4-acetyloxy-3-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-6-(2,2-dimethylpropanoyloxymethyl)-4-[(2S,3R,4R,5S,6R)-3-(1,3-dioxoisoindol-2-yl)-5-[(2S,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-phenylmethoxyoxan-2-yl]methyl 2,2-dimethylpropanoate | 143536-96-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2R,3R,4S,5R,6R)-4-acetyloxy-3-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-6-(2,2-dimethylpropanoyloxymethyl)-4-[(2S,3R,4R,5S,6R)-3-(1,3-dioxoisoindol-2-yl)-5-[(2S,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-phenylmethoxyoxan-2-yl]methyl 2,2-dimethylpropanoate
• CAS: 143536-96-3
• 化学式: C₈₈H₁₀₅NO₂₈
• 分子量: 1624.79
• InChiKey: RWCQAELHPRHVKE-PVPBFIIXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  117
• 可旋转键数：
  41
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  346
• 氢给体数：
  2
• 氢受体数：
  28

反应信息

• 作为反应物：
  描述：

  乙酰丙酸 、 [(2R,3R,4S,5R,6R)-4-acetyloxy-3-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-6-(2,2-dimethylpropanoyloxymethyl)-4-[(2S,3R,4R,5S,6R)-3-(1,3-dioxoisoindol-2-yl)-5-[(2S,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-phenylmethoxyoxan-2-yl]methyl 2,2-dimethylpropanoate 在 三乙烯二胺 、 2-氯-1-甲基吡啶碘化物 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 0.67h， 生成 [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-2-[(2R,3R,4S,5R,6R)-4-acetyloxy-5-(2,2-dimethylpropanoyloxy)-2-(2,2-dimethylpropanoyloxymethyl)-6-phenylmethoxyoxan-3-yl]oxy-6-(2,2-dimethylpropanoyloxymethyl)oxan-4-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methyl 4-oxopentanoate
  参考文献：
  名称：

  Synthesis of triantennary blood group I antigens: Neolacto-glycopentadecaosyl ceramide

  摘要：

  A stereocontrolled total synthesis of triantennary neolacto-glycopentadecaosyl

  DOI：

  10.1016/s0040-4039(00)60969-3