tris-{2-[(6'-deoxy-1'-O-methyl-α-D-mannopyranos-6'-yl)carbamoyl]ethyl}-aminomethane | 904911-77-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tris-{2-[(6'-deoxy-1'-O-methyl-α-D-mannopyranos-6'-yl)carbamoyl]ethyl}-aminomethane
• CAS: 904911-77-9
• 化学式: C₃₁H₅₆N₄O₁₈
• 分子量: 772.802
• InChiKey: CBJNKRIIDQTNQI-MZIKOMLXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.26
• 重原子数：
  53.0
• 可旋转键数：
  18.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  350.77
• 氢给体数：
  13.0
• 氢受体数：
  19.0

反应信息

• 作为反应物：
  描述：

  tris-{2-[(6'-deoxy-1'-O-methyl-α-D-mannopyranos-6'-yl)carbamoyl]ethyl}-aminomethane 在 二甲基硫 、 N,N-二异丙基乙胺 、 三氟乙酸 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 29.0h， 生成 (triglycylamido)-tris-{2-[(6'-deoxy-1'-O-methyl-α-D-mannopyranos-6'-yl)carbamoyl]ethyl}-methane
  参考文献：
  名称：

  Multivalent glycomimetics: synthesis of nonavalent mannoside clusters with variation of spacer properties

  摘要：

  Oligosaccharide mimetics are important tools in the glycosciences. In this work, we have employed spaced glycodendrons for the synthesis of oligomannoside mimetics. Starting from a number of trivalent, branched molecular wedges, the preparation of nonavalent cluster mannosides was accomplished, which were varied with regard to the chemical characteristics of their spacer moieties and spacer lengths. For ligation of the various trivalent dendrons to the nonavalent target molecules peptide coupling was employed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2006.01.024
• 作为产物：
  描述：

  硝基甲烷三丙酸 在 palladium on activated charcoal 氢气 、 ammonium formate 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 42.0h， 生成 tris-{2-[(6'-deoxy-1'-O-methyl-α-D-mannopyranos-6'-yl)carbamoyl]ethyl}-aminomethane
  参考文献：
  名称：

  Multivalent glycomimetics: synthesis of nonavalent mannoside clusters with variation of spacer properties

  摘要：

  Oligosaccharide mimetics are important tools in the glycosciences. In this work, we have employed spaced glycodendrons for the synthesis of oligomannoside mimetics. Starting from a number of trivalent, branched molecular wedges, the preparation of nonavalent cluster mannosides was accomplished, which were varied with regard to the chemical characteristics of their spacer moieties and spacer lengths. For ligation of the various trivalent dendrons to the nonavalent target molecules peptide coupling was employed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2006.01.024