N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(Z)-4-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]sulfanylbut-2-enyl]disulfanyl]oxan-3-yl]acetamide

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(Z)-4-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]sulfanylbut-2-enyl]disulfanyl]oxan-3-yl]acetamide
• 化学式: C₃₂H₄₆N₅O₁₆PS₃
• 分子量: 883.9
• InChiKey: GPNTWBLKFOCZMD-DHJPIMAISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.3
• 重原子数：
  57
• 可旋转键数：
  17
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  368
• 氢给体数：
  8
• 氢受体数：
  19

文献信息

• METHODS FOR THE SYNTHESIS OF FUNCTIONALIZED NUCLEIC ACIDS
  申请人：Verdine Gregory L.

  公开号：US20140194610A1

  公开（公告）日：2014-07-10

  Described herein are methods for the synthesis of derivatives of thiosulfonate reagents. Said reagents have utility for the synthesis of phosphorothiotriesters from H-phosphonates in a stereospecific fashion.
• US9605019B2
  申请人：——

  公开号：US9605019B2

  公开（公告）日：2017-03-28