| 1278413-39-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1278413-39-0
• 化学式: C₅₀H₉₂N₆O₂₃*ClH
• 分子量: 1181.77
• InChiKey: DENMIDZUWOHXJG-KNGNGFKBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.88
• 重原子数：
  80.0
• 可旋转键数：
  40.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  469.66
• 氢给体数：
  18.0
• 氢受体数：
  24.0

反应信息

• 作为反应物：
  描述：

  、 perfluorophenyl 4-(pyren-1-yl)butanoate 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以5.2 mg的产率得到[Man(CH2)2C(O)NH(CH2)3OCH2]3CNHC(O)(CH2)2C(O)NH(CH2)6NHC(O)(CH2)3-2-pyrene
  参考文献：
  名称：

  Adaptable Synthesis of C-Glycosidic Multivalent Carbohydrates and Succinamide-Linked Derivatization

  摘要：

  A modular approach to the synthesis of trivalent C-glycosidic carbohydrates is described. The approach is illustrated employing carboxylate-terminated C-glycosidic D-mannose, D-glucose, and D-galactose derivatives with different length C1-linked spacer units and also core units with different length linker units attached. The central core scaffold is additionally functionalized via a succinamide-based, conjugatable linker unit, exemplified in an extended multivalent derivative [31] and a pyrene-bearing fluorsecent-labeled tris-C-mannosyl conjugate [33].

  DOI：

  10.1021/ol102310x
• 作为产物：
  描述：

  [Man(CH2)2C(O)NH(CH2)3OCH2]3CNHC(O)(CH2)2C(O)NH(CH2)6NHBoc 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Adaptable Synthesis of C-Glycosidic Multivalent Carbohydrates and Succinamide-Linked Derivatization

  摘要：

  A modular approach to the synthesis of trivalent C-glycosidic carbohydrates is described. The approach is illustrated employing carboxylate-terminated C-glycosidic D-mannose, D-glucose, and D-galactose derivatives with different length C1-linked spacer units and also core units with different length linker units attached. The central core scaffold is additionally functionalized via a succinamide-based, conjugatable linker unit, exemplified in an extended multivalent derivative [31] and a pyrene-bearing fluorsecent-labeled tris-C-mannosyl conjugate [33].

  DOI：

  10.1021/ol102310x