(2S)-2-amino-3-[hydroxy-[(2S)-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油磷脂
• 英文名称: (2S)-2-amino-3-[hydroxy-[(2S)-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
• 化学式: C₂₄H₄₆NO₉P
• 分子量: 523.6
• InChiKey: QQHKVAJCQFQGMF-QXLPFXRRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  35
• 可旋转键数：
  25
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  166
• 氢给体数：
  4
• 氢受体数：
  10

文献信息

• [EN] METHOD OF DESIGNING MOLECULES<br/>[FR] PROCÉDÉ DE CONCEPTION DE MOLÉCULES
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2014039015A1

  公开（公告）日：2014-03-13

  The present disclosure relates to a method for identifying a compound that disrupts a membrane of a target cell, the method comprising the steps of: (a) identifying the structure of a test compound; (b) identifying the structure of a phospholipid membrane of the target cell; (c) using the identified structures of the test compound and the target cell to predict whether the test compound will disrupt the phospholipid membrane of the target cell.