benzyl N-[(3aR,4R,6R,7R,7aR)-6-[(1R,2R,3S,4R,6S)-2-[(3aR,4S,6R,6aR)-6-(hydroxymethyl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]oxy-3-hydroxy-4,6-bis(phenylmethoxycarbonylamino)cyclohexyl]oxy-4-(phenylmethoxycarbonylaminomethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]carbamate | 57052-21-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: benzyl N-[(3aR,4R,6R,7R,7aR)-6-[(1R,2R,3S,4R,6S)-2-[(3aR,4S,6R,6aR)-6-(hydroxymethyl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]oxy-3-hydroxy-4,6-bis(phenylmethoxycarbonylamino)cyclohexyl]oxy-4-(phenylmethoxycarbonylaminomethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]carbamate
• CAS: 57052-21-8
• 化学式: C₆₁H₇₄N₄O₁₈
• 分子量: 1151.27
• InChiKey: NVRDMTIAVPBEHD-ALECUSAXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  83
• 可旋转键数：
  22
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  268
• 氢给体数：
  6
• 氢受体数：
  18