(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)-4-fluoro-3-(isopropoxycarbonylamino)-2-methyl-2-[(triethylsilyl)oxy]butyrate | 935672-98-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 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)-4-fluoro-3-(isopropoxycarbonylamino)-2-methyl-2-[(triethylsilyl)oxy]butyrate
• 英文别名: [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-18-[(2R,3R)-4-fluoro-2-methyl-3-(propan-2-yloxycarbonylamino)-2-triethylsilyloxybutanoyl]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: 935672-98-3
• 化学式: C₅₀H₇₅FN₂O₁₄Si
• 分子量: 975.234
• InChiKey: OCQPKQHBVGNMPD-LRMCKONBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.16
• 重原子数：
  68
• 可旋转键数：
  21
• 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：
  16