3,9,20,29,40-Pentakis(carboxymethyl)-5,8,11,16,19,22,25,28,31,34,39,42-dodecahydroxy-23-(hydroxymethyl)-26,32-bis[(4-hydroxyphenyl)methyl]-6-methyl-17-(2-methylpropyl)-2-oxo-1,4,7,10,15,18,21,24,27,30,33,38,41-tridecazabicyclo[41.3.0]hexatetraconta-4,7,10,15,18,21,24,27,30,33,38,41-dodecaene-14,37-dicarboxylic acid | 18524-67-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: 3,9,20,29,40-Pentakis(carboxymethyl)-5,8,11,16,19,22,25,28,31,34,39,42-dodecahydroxy-23-(hydroxymethyl)-26,32-bis[(4-hydroxyphenyl)methyl]-6-methyl-17-(2-methylpropyl)-2-oxo-1,4,7,10,15,18,21,24,27,30,33,38,41-tridecazabicyclo[41.3.0]hexatetraconta-4,7,10,15,18,21,24,27,30,33,38,41-dodecaene-14,37-dicarboxylic acid
• 英文别名: 3,9,20,29,40-pentakis(carboxymethyl)-5,8,11,16,19,22,25,28,31,34,39,42-dodecahydroxy-23-(hydroxymethyl)-26,32-bis[(4-hydroxyphenyl)methyl]-6-methyl-17-(2-methylpropyl)-2-oxo-1,4,7,10,15,18,21,24,27,30,33,38,41-tridecazabicyclo[41.3.0]hexatetraconta-4,7,10,15,18,21,24,27,30,33,38,41-dodecaene-14,37-dicarboxylic acid
• CAS: 18524-67-9
• 化学式: C₆₅H₈₅N₁₃O₃₀
• 分子量: 1528.4
• InChiKey: MGMBOQJARKXIAL-UHFFFAOYSA-N

物化性质

• 熔点：
  235-240°
• 沸点：
  2102.4±65.0 °C(Predicted)
• 密度：
  1.57±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -5.1
• 重原子数：
  108
• 可旋转键数：
  19
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  691
• 氢给体数：
  22
• 氢受体数：
  30