3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid;4-[(21S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaen-22-yl]-2-oxobutanal;4-[12-(4-sulfophenyl)-17,24-bis[4-(trioxidanylsulfanyl)phenyl]-22,25-diaza-2,23-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2,4,6,8,10,12,14,16(23),17,19,21(24)-undecaen-7-yl]benzenesulfonic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid;4-[(21S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaen-22-yl]-2-oxobutanal;4-[12-(4-sulfophenyl)-17,24-bis[4-(trioxidanylsulfanyl)phenyl]-22,25-diaza-2,23-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2,4,6,8,10,12,14,16(23),17,19,21(24)-undecaen-7-yl]benzenesulfonic acid
• 化学式: C113H104N12O21S4+2
• 分子量: 2094.4
• InChiKey: ITUGZEVVWHXBBV-LKVWIYEDSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  12.29
• 重原子数：
  150
• 可旋转键数：
  26
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  545
• 氢给体数：
  16
• 氢受体数：
  28