[2-[[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-3-oxo-3-propan-2-yloxypropyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [2-[[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-3-oxo-3-propan-2-yloxypropyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
• 英文别名: [2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-3-oxo-3-propan-2-yloxypropyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
• 化学式: C₁₇H₃₀O₁₀
• 分子量: 394.4
• InChiKey: OUCWUIDDQAZVEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  27
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  160
• 氢给体数：
  4
• 氢受体数：
  10

文献信息

• SENSORS AND METHODS FOR DETECTING PEROXIDE BASED EXPLOSIVES
  申请人：University of Utah Research Foundation

  公开号：US20140193923A1

  公开（公告）日：2014-07-10

  Methods, compositions, and systems for detecting explosives is disclosed and described. A sensor for detecting explosives can comprise a porous hydrophilic material modified with a series of π conjugated molecules with the general structure: [EW]-[CS]-[PED] wherein EW is an electron withdrawing group, CS is a conjugated system, and where PED is a pre-electron donating group. The porous hydrophilic material is capable of detecting hydrogen peroxide by reacting the aryl boronate group (or other Pre-ED groups) with the hydrogen peroxide to provide a fluorescent change.

  本文公开和描述了一种检测爆炸物的方法、组合物和系统。用于检测爆炸物的传感器可以包括一种多孔亲水材料，该材料经过一系列π共轭分子的修饰，其一般结构为：[EW]-[CS]-[PED]，其中EW是一个电子吸引基团，CS是一个共轭系统，PED是一个预电子给予基团。这种多孔亲水材料能够通过将芳基硼酸酯基团（或其他预电子给予基团）与过氧化氢反应来提供荧光变化，从而检测到过氧化氢。