| 210427-16-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 210427-16-0
• 化学式: C₇₀H₁₀₆INO₁₆SSi₃
• 分子量: 1460.84
• InChiKey: CFBCRIYQUUFDQJ-JIHISTHKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.17
• 重原子数：
  92.0
• 可旋转键数：
  30.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  183.23
• 氢给体数：
  1.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  4-Oxo-pentanoic acid (2R,3R,4S,5R,6S)-6-((2R,3S,4R)-4-benzyloxy-2-benzyloxymethyl-3,4-dihydro-2H-pyran-3-yloxy)-3,4,5-trihydroxy-tetrahydro-pyran-2-ylmethyl ester 、 在 三丁基氧化锡 、 silver tetrafluoroborate 作用下， 以 苯 、 四氢呋喃 为溶剂， 反应 80.0h， 以45%的产率得到
  参考文献：
  名称：

  Total Syntheses of Tumor-Related Antigens N3:  Probing the Feasibility Limits of the Glycal Assembly Method

  摘要：

  The total syntheses of two octasaccharide antigens isolated from human milk, 1 and 2, and their corresponding allyl glycosides, 3 and 4, have been achieved by utilizing the glycal method, Convergent assembly of the core hexasaccharides and concurrent introduction of two alpha -L-fucosyl moieties at the late stage of the syntheses provided these complex:carbohydrates in a concise manner. With synthetic material obtained, biological evaluations of these antigens as potential gastrointestinal cancer immunotherapeutic agents have been initiated.

  DOI：

  10.1021/ja0022730
• 作为产物：
  描述：

  6-O-triisopropylsilyl-3-O-triphenylsilyl glucal 在 tin(ll) chloride 甲醇 、 iodonium(di-γ-collidine) perchlorate 、 silver perchlorate 、 potassium carbonate 、 三乙胺 、 Di-tert-butylpyridine 、 zinc(II) chloride 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 为溶剂， 反应 47.5h， 生成
  参考文献：
  名称：

  Total Syntheses of Tumor-Related Antigens N3:  Probing the Feasibility Limits of the Glycal Assembly Method

  摘要：

  The total syntheses of two octasaccharide antigens isolated from human milk, 1 and 2, and their corresponding allyl glycosides, 3 and 4, have been achieved by utilizing the glycal method, Convergent assembly of the core hexasaccharides and concurrent introduction of two alpha -L-fucosyl moieties at the late stage of the syntheses provided these complex:carbohydrates in a concise manner. With synthetic material obtained, biological evaluations of these antigens as potential gastrointestinal cancer immunotherapeutic agents have been initiated.

  DOI：

  10.1021/ja0022730