Sodium;33-(diaminomethylideneamino)-13-hydroxy-33-[2-(1-hydroxycyclohexyl)ethyl]-7-(hydroxymethyl)-24-methyl-32,41-dioxaoctacyclo[32.2.2.13,18.15,17.127,31.02,20.011,16.023,28]hentetraconta-1(36),11(16),12,14,18,27,29,31(39),34,37-decaen-9-yne-21-sulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: Sodium;33-(diaminomethylideneamino)-13-hydroxy-33-[2-(1-hydroxycyclohexyl)ethyl]-7-(hydroxymethyl)-24-methyl-32,41-dioxaoctacyclo[32.2.2.13,18.15,17.127,31.02,20.011,16.023,28]hentetraconta-1(36),11(16),12,14,18,27,29,31(39),34,37-decaen-9-yne-21-sulfonate
• 英文别名: sodium;33-(diaminomethylideneamino)-13-hydroxy-33-[2-(1-hydroxycyclohexyl)ethyl]-7-(hydroxymethyl)-24-methyl-32,41-dioxaoctacyclo[32.2.2.13,18.15,17.127,31.02,20.011,16.023,28]hentetraconta-1(36),11(16),12,14,18,27,29,31(39),34,37-decaen-9-yne-21-sulfonate
• 化学式: C50H60N3NaO8S
• 分子量: 886.1
• InChiKey: DXDUQSIOACSFRH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.29
• 重原子数：
  63
• 可旋转键数：
  6
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  209
• 氢给体数：
  5
• 氢受体数：
  9