4-(dimethylamino)-1-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl)methyl)pyridin-1-ium 4-methylbenzenesulfonate | 942209-68-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(dimethylamino)-1-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl)methyl)pyridin-1-ium 4-methylbenzenesulfonate
• CAS: 942209-68-9
• 化学式: C₇H₇O₃S*C₁₄H₂₃N₂O₅
• 分子量: 470.544
• InChiKey: SOEGIISBIWGWOG-SXQUUHMTSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.61
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  143.47
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  4-二甲氨基吡啶 、 methyl 6-O-tosyl-α-D-glucopyranoside 以 水 为溶剂， 反应 14.0h， 生成 4-(dimethylamino)-1-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl)methyl)pyridin-1-ium 4-methylbenzenesulfonate
  参考文献：
  名称：

  Polycations. 17. Synthesis and properties of polycationic derivatives of carbohydrates

  摘要：

  In our continuing investigation of polycationic salts for purposes of antimicrobial action, ion-channel blocking, and construction of ionic liquids, we have prepared several series of polycationic salts derived from carbohydrate precursors. These salts are currently being investigated for optimal efficacy as antibacterials and antifungals, as well as for other applications. The syntheses of such series of salts are described here along with preliminary antibacterial testing results and a discussion of their properties indicating their potential utility for several purposes. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2009.04.021