Methyl 4-amino-5-azido-3-methoxycyclohexene-1-carboxylate;methyl 5-azido-4-hydroxy-3-methoxycyclohexene-1-carboxylate;methyl 5-azido-7-methyl-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate;methyl 5-methoxy-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylate;methyl 5-methoxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 英文名称: Methyl 4-amino-5-azido-3-methoxycyclohexene-1-carboxylate;methyl 5-azido-4-hydroxy-3-methoxycyclohexene-1-carboxylate;methyl 5-azido-7-methyl-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate;methyl 5-methoxy-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylate;methyl 5-methoxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
• 英文别名: methyl 4-amino-5-azido-3-methoxycyclohexene-1-carboxylate;methyl 5-azido-4-hydroxy-3-methoxycyclohexene-1-carboxylate;methyl 5-azido-7-methyl-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate;methyl 5-methoxy-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylate;methyl 5-methoxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
• 化学式: C45H64N12O16
• 分子量: 1029.1
• InChiKey: XKOMIWOJXVNTQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.02
• 重原子数：
  73
• 可旋转键数：
  17
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  295
• 氢给体数：
  3
• 氢受体数：
  25