(1S,2S,3R,4S,5R,8R,9S,10R,13S)-4-acetoxy-2-(benzoyloxy)-5,20-epoxy-1-hydroxy-9,10-{(1S)-2-[(2S)-hydroxymethylazetidino]ethylidenedioxy}tax-11-en-13-yl (2R,3R)-2-[(tert-butyldimethylsilyl)oxy]-4,4-difluoro-3-(isopropoxycarbonylamino)-2-methylpentanoate | 935672-67-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子
• 英文名称: (1S,2S,3R,4S,5R,8R,9S,10R,13S)-4-acetoxy-2-(benzoyloxy)-5,20-epoxy-1-hydroxy-9,10-{(1S)-2-[(2S)-hydroxymethylazetidino]ethylidenedioxy}tax-11-en-13-yl (2R,3R)-2-[(tert-butyldimethylsilyl)oxy]-4,4-difluoro-3-(isopropoxycarbonylamino)-2-methylpentanoate
• 英文别名: [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-18-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-2-methyl-3-(propan-2-yloxycarbonylamino)pentanoyl]oxy-16-hydroxy-4-[[(2S)-2-(hydroxymethyl)azetidin-1-yl]methyl]-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate
• CAS: 935672-67-6
• 化学式: C₅₁H₇₆F₂N₂O₁₄Si
• 分子量: 1007.25
• InChiKey: DEHWDEPEXZJIRN-BCQRRZCQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.85
• 重原子数：
  70
• 可旋转键数：
  19
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  198
• 氢给体数：
  3
• 氢受体数：
  17