3,4,5-Trihydroxy-6-[2-[2-[1-[[3-hydroxy-4-[4-methoxy-6-[(5-methylpyridin-2-yl)sulfonylamino]-2-pyridin-4-ylpyrimidin-5-yl]oxyphenyl]methyl]pyridin-1-ium-4-yl]-4-methoxy-6-[(5-methylpyridin-2-yl)sulfonylamino]pyrimidin-5-yl]oxyphenoxy]oxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,4,5-Trihydroxy-6-[2-[2-[1-[[3-hydroxy-4-[4-methoxy-6-[(5-methylpyridin-2-yl)sulfonylamino]-2-pyridin-4-ylpyrimidin-5-yl]oxyphenyl]methyl]pyridin-1-ium-4-yl]-4-methoxy-6-[(5-methylpyridin-2-yl)sulfonylamino]pyrimidin-5-yl]oxyphenoxy]oxane-2-carboxylic acid
• 英文别名: 3,4,5-trihydroxy-6-[2-[2-[1-[[3-hydroxy-4-[4-methoxy-6-[(5-methylpyridin-2-yl)sulfonylamino]-2-pyridin-4-ylpyrimidin-5-yl]oxyphenyl]methyl]pyridin-1-ium-4-yl]-4-methoxy-6-[(5-methylpyridin-2-yl)sulfonylamino]pyrimidin-5-yl]oxyphenoxy]oxane-2-carboxylic acid
• 化学式: C51H47N10O16S2+
• 分子量: 1120.1
• InChiKey: HNKCPQZOSANWAR-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  79
• 可旋转键数：
  19
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  377
• 氢给体数：
  7
• 氢受体数：
  25