(2R,3R,4S,5S,6R)-2-(((2S,4aR,6S,7R,8R,8aR)-7-acetamido-6-(octyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy)-4-(allyloxy)-6-((benzoyloxy)methyl)tetrahydro-2H-pyran-3,5-diyl dibenzoate | 493027-42-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,3R,4S,5S,6R)-2-(((2S,4aR,6S,7R,8R,8aR)-7-acetamido-6-(octyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy)-4-(allyloxy)-6-((benzoyloxy)methyl)tetrahydro-2H-pyran-3,5-diyl dibenzoate
• CAS: 493027-42-2
• 化学式: C₅₃H₆₁NO₁₄
• 分子量: 936.066
• InChiKey: UTAJLWXESNDLBY-MNAZGWMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  68.0
• 可旋转键数：
  22.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  172.61
• 氢给体数：
  1.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  (2R,3R,4S,5S,6R)-2-(((2S,4aR,6S,7R,8R,8aR)-7-acetamido-6-(octyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy)-4-(allyloxy)-6-((benzoyloxy)methyl)tetrahydro-2H-pyran-3,5-diyl dibenzoate 在 吡啶 、 水 、 溶剂黄146 作用下， 生成 (2R,3R,4S,5S,6R)-2-(((2S,3R,4R,5R,6R)-3-acetamido-5-acetoxy-6-(acetoxymethyl)-2-(octyloxy)tetrahydro-2H-pyran-4-yl)oxy)-4-(allyloxy)-6-((benzoyloxy)methyl)tetrahydro-2H-pyran-3,5-diyl dibenzoate
  参考文献：
  名称：

  Chemoenzymatic synthesis of sulfated O-linked oligosaccharides: epitopes for MECA-79

  摘要：

  Sulfated oligosaccharides I,II and III, representatives of those found on L-selectin counterreceptors, have been efficiently prepared employing a combination of chemical and enzymatic synthetic methods. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01795-1
• 作为产物：
  描述：

  octyl 2-acetamido-2-deoxy-α-D-galactopyranoside 在 三氟甲磺酸 、 4 A molecular sieve 、 三氟乙酸 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 1.5h， 生成 (2R,3R,4S,5S,6R)-2-(((2S,4aR,6S,7R,8R,8aR)-7-acetamido-6-(octyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy)-4-(allyloxy)-6-((benzoyloxy)methyl)tetrahydro-2H-pyran-3,5-diyl dibenzoate
  参考文献：
  名称：

  Chemoenzymatic synthesis of sulfated O-linked oligosaccharides: epitopes for MECA-79

  摘要：

  Sulfated oligosaccharides I,II and III, representatives of those found on L-selectin counterreceptors, have been efficiently prepared employing a combination of chemical and enzymatic synthetic methods. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01795-1