2-[4-[[[5-(2,5-Dihydroxypyrrol-1-yl)oxy-5-oxopentanoyl]amino]methyl]-5-[[5-[2-[5-(1-ethyl-3,3-dimethyl-5-sulfoindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]pentoxymethylamino]methyl]-3-hydroxy-6-oxoxanthen-9-yl]benzoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2-[4-[[[5-(2,5-Dihydroxypyrrol-1-yl)oxy-5-oxopentanoyl]amino]methyl]-5-[[5-[2-[5-(1-ethyl-3,3-dimethyl-5-sulfoindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]pentoxymethylamino]methyl]-3-hydroxy-6-oxoxanthen-9-yl]benzoic acid
• 英文别名: 2-[4-[[[5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoyl]amino]methyl]-5-[[5-[2-[5-(1-ethyl-3,3-dimethyl-5-sulfoindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]pentoxymethylamino]methyl]-3-hydroxy-6-oxoxanthen-9-yl]benzoic acid
• 化学式: C64H68N5O17S2+
• 分子量: 1243.4
• InChiKey: ZVPQLJXQDYRBLV-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  88
• 可旋转键数：
  26
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  338
• 氢给体数：
  8
• 氢受体数：
  19