[9-[4-[[6-[[3-[2-[2-[2-[3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyldisulfanyl]-1-amino-1-oxopropan-2-yl]amino]-5-[bis[2-[1-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyldisulfanyl]propan-2-ylamino]-2-oxoethyl]amino]-6-oxohexyl]carbamoyl]-2-carboxyphenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [9-[4-[[6-[[3-[2-[2-[2-[3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyldisulfanyl]-1-amino-1-oxopropan-2-yl]amino]-5-[bis[2-[1-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyldisulfanyl]propan-2-ylamino]-2-oxoethyl]amino]-6-oxohexyl]carbamoyl]-2-carboxyphenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
• 英文别名: [9-[4-[[6-[[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyldisulfanyl]-1-amino-1-oxopropan-2-yl]amino]-5-[bis[2-[1-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyldisulfanyl]propan-2-ylamino]-2-oxoethyl]amino]-6-oxohexyl]carbamoyl]-2-carboxyphenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
• 化学式: C84H132N9O30S6+
• 分子量: 1940.4
• InChiKey: XWLSBPZEMAGCBV-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -3.8
• 重原子数：
  129
• 可旋转键数：
  62
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  689
• 氢给体数：
  16
• 氢受体数：
  38