2-[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-[3-[2-[2-[2-[1-hydroxy-3-[hydroxy(methoxy)phosphinothioyl]oxypropan-2-yl]oxyethoxy]ethoxy]ethoxy]propyl]acetamide

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 2-[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-[3-[2-[2-[2-[1-hydroxy-3-[hydroxy(methoxy)phosphinothioyl]oxypropan-2-yl]oxyethoxy]ethoxy]ethoxy]propyl]acetamide
• 化学式: C₄₂H₇₆NO₉PS
• 分子量: 802.1
• InChiKey: PBWFEXCDIWYKDA-LEJUHSDGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  54
• 可旋转键数：
  26
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  157
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• Oligonucleotide Derivative, Oligonucleotide Derivative-Containing Pharmaceutical Composition for Treatment and Pharmaceutical Composition for Diagnosis, and Oligonucleotide Derivative for Regulation of miRNA Function
  申请人：Matsuda Akira

  公开号：US20140128347A1

  公开（公告）日：2014-05-08

  An oligonucleotide derivative comprises repeating structural units represented by the following general formula (wherein B represents adenine, guanine, cytosine, or uracil; X represents a sulfur atom or an oxygen atom; n represents an integer of 6 to 60; and B and X are independently represented in each of the repeating structural units), wherein X is a sulfur atom in at least one of the repeating structural units represented by the general formula:
• US9315810B2
  申请人：——

  公开号：US9315810B2

  公开（公告）日：2016-04-19