Benzoic acid (2S,3R,4R,5S,6S)-2-((2R,3R,4R,5S,6S)-4-acetoxy-5-benzyloxy-2-methoxy-6-methyl-tetrahydro-pyran-3-yloxy)-5-benzyloxy-6-methyl-4-((2R,3R,4S,5R,6R)-3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl ester | 97776-85-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Benzoic acid (2S,3R,4R,5S,6S)-2-((2R,3R,4R,5S,6S)-4-acetoxy-5-benzyloxy-2-methoxy-6-methyl-tetrahydro-pyran-3-yloxy)-5-benzyloxy-6-methyl-4-((2R,3R,4S,5R,6R)-3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl ester
• CAS: 97776-85-7
• 化学式: C₇₀H₇₆O₁₆
• 分子量: 1173.36
• InChiKey: ZRAHRXWLKWOREE-DLCBVJQISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.92
• 重原子数：
  86.0
• 可旋转键数：
  27.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  163.36
• 氢给体数：
  0.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  Benzoic acid (2S,3R,4R,5S,6S)-2-((2R,3R,4R,5S,6S)-4-acetoxy-5-benzyloxy-2-methoxy-6-methyl-tetrahydro-pyran-3-yloxy)-5-benzyloxy-6-methyl-4-((2R,3R,4S,5R,6R)-3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl ester 以82%的产率得到Benzoic acid (2S,3R,4R,5S,6S)-5-benzyloxy-2-((2R,3R,4R,5R,6S)-5-benzyloxy-4-hydroxy-2-methoxy-6-methyl-tetrahydro-pyran-3-yloxy)-6-methyl-4-((2R,3R,4S,5R,6R)-3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl ester
  参考文献：
  名称：

  Synthesis of a branched pentasaccharide fragment of the O-antigen of Shigella flexneri serotype 5b

  摘要：

  DOI：

  10.1016/0008-6215(85)85238-1
• 作为产物：
  描述：

  Acetic acid (2S,3S,4R,5R,6R)-3-benzyloxy-5-[(2S,3R,4S,5S,6S)-5-benzyloxy-3-hydroxy-6-methyl-4-((2R,3R,4S,5R,6R)-3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-6-methoxy-2-methyl-tetrahydro-pyran-4-yl ester 以93%的产率得到Benzoic acid (2S,3R,4R,5S,6S)-2-((2R,3R,4R,5S,6S)-4-acetoxy-5-benzyloxy-2-methoxy-6-methyl-tetrahydro-pyran-3-yloxy)-5-benzyloxy-6-methyl-4-((2R,3R,4S,5R,6R)-3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl ester
  参考文献：
  名称：

  Synthesis of a branched pentasaccharide fragment of the O-antigen of Shigella flexneri serotype 5b

  摘要：

  DOI：

  10.1016/0008-6215(85)85238-1