2-[2,5,6-Trihydroxy-2,4-dimethyl-1-oxo-7-(2-oxopropanoylamino)benzo[e][1]benzofuran-9-yl]oxyacetic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并呋喃类
• 英文名称: 2-[2,5,6-Trihydroxy-2,4-dimethyl-1-oxo-7-(2-oxopropanoylamino)benzo[e][1]benzofuran-9-yl]oxyacetic acid
• 英文别名: 2-[2,5,6-trihydroxy-2,4-dimethyl-1-oxo-7-(2-oxopropanoylamino)benzo[e][1]benzofuran-9-yl]oxyacetic acid
• 化学式: C₁₉H₁₇NO₁₀
• 分子量: 419.3
• InChiKey: WUTUVBRTLGOFIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  180
• 氢给体数：
  5
• 氢受体数：
  10

文献信息

• RECOMBINED MOLECULES AND PREPARATION THEREOF
  申请人：Valent Technologies, LLC

  公开号：EP1641730B1

  公开（公告）日：2014-07-30
• Recombined Molecules and Preparation Thereof
  申请人：Brown Dennis M.

  公开号：US20110312034A1

  公开（公告）日：2011-12-22

  The invention relates to novel molecules and libraries thereof as well as methods for their production. Methods of producing the novel molecules include the cleaving of starting molecules into molecular subunits and the assembly of the subunits into novel recombined molecules.