1,2-O-isopropylidene-3-deoxy-3-[(2-trifluoromethylphenyl)thiourido]-5,6-dioxaspiro[4,5]decane-α-D-allofuranoside | 1118980-92-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,2-O-isopropylidene-3-deoxy-3-[(2-trifluoromethylphenyl)thiourido]-5,6-dioxaspiro[4,5]decane-α-D-allofuranoside
• 英文别名: 1,2-O-isopropylidene-3-deoxy-3-[3-(2-trifluoromethylphenyl)-thioureido]-5,6-dioxaspiro[4,5]decane-α-D-allofuranoside1,2-O-isopropylidene-3-deoxy-3-(3-phenyl-thioureido)-5,6-dioxaspiro[4,5]decane-α-D-allofuranoside1,2-O-isopropylidene-3-deoxy-3-(3-phenyl-thioureido)-5,6-dioxaspiro[4,5]decane-α-D-allofuranoside1,2-O-isopropylidene-3-deoxy-3-[3-(2-trifluoromethylphenyl)-thioureido]-5,6-dioxaspiro[4,5]decane-α-D-allofuranoside1,2-O-isopropylidene-3-deoxy-3-[3-(4-trifluoromethylphenyl)-thioureido]-5,6-dioxaspiro[4,5]decane-α-D-allofuranoside1,2-O-isopropylidene-3-deoxy-3-(3-phenyl-thioureido)-5,6-dioxaspiro[4,5]decane-α-D-allofuranoside1,2-O-isopropylidene-3-deoxy-3-[3-(2-trifluoromethylphenyl)-thioureido]-5,6-dioxaspiro[4,5]decane-α-D-allofuranoside
• CAS: 1118980-92-9
• 化学式: C₂₃H₂₉F₃N₂O₅S
• 分子量: 502.555
• InChiKey: PTJDIEFLVCTDCV-FVVUREQNSA-N

物化性质

• 沸点：
  548.7±60.0 °C(predicted)
• 密度：
  1.38±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.31
• 重原子数：
  34.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  70.21
• 氢给体数：
  2.0
• 氢受体数：
  6.0