4-[4-[2-[[3-[2-Azido-2-[2-[2-[3-[1-[4-(azidomethoxy)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]ethoxy]ethoxy]benzoyl]amino]ethylamino]-4-oxobutoxy]-2-(2-oxa-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaen-13-yl)benzoic acid

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷酸
• 英文名称: 4-[4-[2-[[3-[2-Azido-2-[2-[2-[3-[1-[4-(azidomethoxy)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]ethoxy]ethoxy]benzoyl]amino]ethylamino]-4-oxobutoxy]-2-(2-oxa-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaen-13-yl)benzoic acid
• 英文别名: 4-[4-[2-[[3-[2-azido-2-[2-[2-[3-[1-[4-(azidomethoxy)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]ethoxy]ethoxy]benzoyl]amino]ethylamino]-4-oxobutoxy]-2-(2-oxa-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaen-13-yl)benzoic acid
• 化学式: C58H65N13O24P3+
• 分子量: 1421.1
• InChiKey: DLPHXCZHCTZGQF-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  98
• 可旋转键数：
  34
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  453
• 氢给体数：
  11
• 氢受体数：
  29