4-[(5-Carboxy-1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[[5-(dihydroxymethyl)-1,3,3-trimethylindol-2-ylidene]methyl]-3-oxocyclobuten-1-olate;[4-[5-[2-[6-(dihydroxymethyl)-3-methyl-1,3-benzothiazol-2-ylidene]ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]phosphonic acid;3-[5-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;2-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)methylidene]-1,3,3-trimethylindole-5-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 4-[(5-Carboxy-1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[[5-(dihydroxymethyl)-1,3,3-trimethylindol-2-ylidene]methyl]-3-oxocyclobuten-1-olate;[4-[5-[2-[6-(dihydroxymethyl)-3-methyl-1,3-benzothiazol-2-ylidene]ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]phosphonic acid;3-[5-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;2-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)methylidene]-1,3,3-trimethylindole-5-carboxylic acid
• 英文别名: 4-[(5-carboxy-1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[[5-(dihydroxymethyl)-1,3,3-trimethylindol-2-ylidene]methyl]-3-oxocyclobuten-1-olate;[4-[5-[2-[6-(dihydroxymethyl)-3-methyl-1,3-benzothiazol-2-ylidene]ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]phosphonic acid;3-[5-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;2-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)methylidene]-1,3,3-trimethylindole-5-carboxylic acid
• 化学式: C84H78N7O20PS6
• 分子量: 1728.9
• InChiKey: PBPOWQURIQYDFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.75
• 重原子数：
  118
• 可旋转键数：
  15
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  567
• 氢给体数：
  10
• 氢受体数：
  30