N-(2,3-dihydroxy-propyl)-N'-{2-[{3-[(2,3-dihydroxy-propyl)-5-(2-hydroxy-acetylamino)-methyl-carbamoyl]-2,4,6-triiodo-benzoyl}-(2-hydroxy-ethyl)-amino]-ethyl}-5-(2-hydroxy-acetylamino)-N'-(2-hydroxy-ethyl)-2,4,6-triiodo-N-methyl-isophthalamide | 1140331-64-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(2,3-dihydroxy-propyl)-N'-{2-[{3-[(2,3-dihydroxy-propyl)-5-(2-hydroxy-acetylamino)-methyl-carbamoyl]-2,4,6-triiodo-benzoyl}-(2-hydroxy-ethyl)-amino]-ethyl}-5-(2-hydroxy-acetylamino)-N'-(2-hydroxy-ethyl)-2,4,6-triiodo-N-methyl-isophthalamide
• 英文别名: 1-N-(2,3-dihydroxypropyl)-3-N-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]-(2-hydroxyethyl)amino]ethyl]-5-[(2-hydroxyacetyl)amino]-3-N-(2-hydroxyethyl)-2,4,6-triiodo-1-N-methylbenzene-1,3-dicarboxamide
• CAS: 1140331-64-1
• 化学式: C₃₄H₄₂I₆N₆O₁₄
• 分子量: 1520.17
• InChiKey: WBRDNDZVMTXSSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.1
• 重原子数：
  60
• 可旋转键数：
  21
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  301
• 氢给体数：
  10
• 氢受体数：
  14