(1S,2S,3R,4S,5R,8R,9S,10R,13S)-4-acetoxy-9,10-[(1S)-2-(azetidino)ethylidenedioxy]-2-(benzoyloxy)-5,20-epoxy-1-hydroxytax-11-en-13-yl (2R,3R)-3-(tert-butoxycarbonylamino)-4-fluoro-2-methyl-2-[(triethylsilyl)oxy]butyrate | 935672-61-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: (1S,2S,3R,4S,5R,8R,9S,10R,13S)-4-acetoxy-9,10-[(1S)-2-(azetidino)ethylidenedioxy]-2-(benzoyloxy)-5,20-epoxy-1-hydroxytax-11-en-13-yl (2R,3R)-3-(tert-butoxycarbonylamino)-4-fluoro-2-methyl-2-[(triethylsilyl)oxy]butyrate
• 英文别名: [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-18-[(2R,3R)-4-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybutanoyl]oxy-16-hydroxy-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: 935672-61-0
• 化学式: C₅₀H₇₅FN₂O₁₃Si
• 分子量: 959.235
• InChiKey: AUQLLGXJZMKTIY-DRRKSWFESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.19
• 重原子数：
  67
• 可旋转键数：
  20
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  178
• 氢给体数：
  2
• 氢受体数：
  15