82-(Diaminomethyl)-13,21,43,63,64-pentahydroxy-49-(hydroxymethyl)-15-oxa-39,40,45,46-tetrathia-29-azapentadecacyclo[51.17.4.23,44.234,37.256,59.11,64.14,42.14,43.110,14.118,22.023,35.026,30.048,68.050,73.068,71]pentaoctaconta-5,10(85),11,13,18(84),19,21,26(30),27,34,36,50(73),51,53(74),56(77),57,59(76),69,78,82-icosaen-32-yne-7,25-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 82-(Diaminomethyl)-13,21,43,63,64-pentahydroxy-49-(hydroxymethyl)-15-oxa-39,40,45,46-tetrathia-29-azapentadecacyclo[51.17.4.23,44.234,37.256,59.11,64.14,42.14,43.110,14.118,22.023,35.026,30.048,68.050,73.068,71]pentaoctaconta-5,10(85),11,13,18(84),19,21,26(30),27,34,36,50(73),51,53(74),56(77),57,59(76),69,78,82-icosaen-32-yne-7,25-dione
• 英文别名: 82-(diaminomethyl)-13,21,43,63,64-pentahydroxy-49-(hydroxymethyl)-15-oxa-39,40,45,46-tetrathia-29-azapentadecacyclo[51.17.4.23,44.234,37.256,59.11,64.14,42.14,43.110,14.118,22.023,35.026,30.048,68.050,73.068,71]pentaoctaconta-5,10(85),11,13,18(84),19,21,26(30),27,34,36,50(73),51,53(74),56(77),57,59(76),69,78,82-icosaen-32-yne-7,25-dione
• 化学式: C₈₁H₈₉N₃O₉S₄
• 分子量: 1376.9
• InChiKey: SXRMSIYRKVWBHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  97
• 可旋转键数：
  2
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  334
• 氢给体数：
  9
• 氢受体数：
  15