(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-[[4-[2-[2-[2-[4-[7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol | 1446703-22-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-[[4-[2-[2-[2-[4-[7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
• CAS: 1446703-22-5
• 化学式: C₆₇H₁₁₂N₆O₄₄
• 分子量: 1705.64
• InChiKey: MAVALWXCQSGESC-VNLADTQCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -16.8
• 重原子数：
  117
• 可旋转键数：
  31
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  732
• 氢给体数：
  24
• 氢受体数：
  48

反应信息

• 作为产物：
  描述：

  8-oxaundec-10-ynyl-α-D-mannopyranoside 、 在 copper(I) sulfate 、 sodium ascorbate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以31 mg的产率得到(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-[[4-[2-[2-[2-[4-[7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
  参考文献：
  名称：

  [EN] MULTIMERIC MANNOSIDES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG
  [FR] MANNOSIDES MULTIMÉRIQUES, UN PROCÉDÉ DE PRÉPARATION DE CEUX-CI ET LEURS UTILISATIONS EN TANT QUE MÉDICAMENT

  摘要：

  本发明涉及多聚甘露糖苷，其制备方法以及它们在医药中用于治疗大肠杆菌感染的用途。典型的化合物包括：

  公开号：

  WO2014016361A1

文献信息

• Mannose derivatives, a process for preparing the same and their uses as a drug
  申请人：Centre National de la Recherche Scientifique

  公开号：EP2690105A1

  公开（公告）日：2014-01-29

  The present invention relates to heptyl α-D mannoside clusters for use in the treatment of diseases caused by bacterium Escherichia coli. Representative compounds are those below :

  本发明涉及庚基α-D甘露聚糖簇的用途，用于治疗由大肠埃希菌引起的疾病。代表性化合物如下：