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 | 97776-86-8

• 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)-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
• CAS: 97776-86-8
• 化学式: C₆₈H₇₄O₁₅
• 分子量: 1131.33
• InChiKey: YEZJROBOOVPBRB-HAZJEMDDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.35
• 重原子数：
  83.0
• 可旋转键数：
  26.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  157.29
• 氢给体数：
  1.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  2,3,4,6-tetra-O-benzyl-D-glucopyranosyl bromide 、 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 在 氰化汞 作用下， 以 二氯甲烷 为溶剂， 以60%的产率得到
  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 生成 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