6-[2-[5-[3-[6-[3-[1-[(2R,5S)-5-[(4,6-dihydroxy-4,6-dioxo-2-sulfanylidene-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphinan-2-yl)oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylamino]-6-oxohexyl]-1,1-dimethyl-7-(trioxidanylsulfanyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfoindol-1-yl]hexanoic acid

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 6-[2-[5-[3-[6-[3-[1-[(2R,5S)-5-[(4,6-dihydroxy-4,6-dioxo-2-sulfanylidene-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphinan-2-yl)oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylamino]-6-oxohexyl]-1,1-dimethyl-7-(trioxidanylsulfanyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfoindol-1-yl]hexanoic acid
• 英文别名: 6-[2-[5-[3-[6-[3-[1-[(2R,5S)-5-[(4,6-dihydroxy-4,6-dioxo-2-sulfanylidene-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylamino]-6-oxohexyl]-1,1-dimethyl-7-(trioxidanylsulfanyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfoindol-1-yl]hexanoic acid
• 化学式: C53H63N5O20P3S3+
• 分子量: 1279.2
• InChiKey: YKSJPTXROVOTSL-BABHTTKWSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  84
• 可旋转键数：
  25
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  402
• 氢给体数：
  7
• 氢受体数：
  23