| 1513863-52-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• CAS: 1513863-52-9
• 化学式: C₅H₇NO₄
• 分子量: 145.115
• InChiKey: KUGCSOUIOVNUSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.17
• 重原子数：
  10.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  69.44
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  5-Hydroxy-3-(nitromethyl)dihydrofuran-2(3h)-one 在 sodium tetrahydroborate 、 盐酸 作用下， 以 水 、 丙酮 为溶剂， 反应 6.5h， 生成
  参考文献：
  名称：

  A Self-Organizing Chemical Assembly Line

  摘要：

  Chemical syntheses generally involve a series of discrete transformations whereby a simple set of starting materials are progressively rendered more complex. In contrast, living systems accomplish their syntheses within complex chemical mixtures, wherein the self-organization of biomolecules allows them to form "assembly lines" that transform simple starting materials into more complex products. Here we demonstrate the functioning of an abiological chemical system whose simple parts self-organize into a complex system capable of directing the multistep transformation of the small molecules furan, dioxygen, and nitromethane into a more complex and information-rich product. The novel use of a self-assembling container molecule to catalytically transform a high-energy intermediate is central to the system's functioning.

  DOI：

  10.1021/ja412235e