N-(1,4,7,13,16,22-Hexaaza-3,15-bis(hydroxyethyl)-6-(1,2-dihydroxy-2-(4-(phosphonooxy)phenyl)ethyl)-11,20,21,25-tetrahydroxy-26-methyl-2,5,8,14,17,23-hexaoxotricyclo[22.3.0.0<9,13>]heptacos-18-yl)(4-(4-(4-pentyloxyphenyl)phenyl)phenyl)formamide, sodium salt

• 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: N-(1,4,7,13,16,22-Hexaaza-3,15-bis(hydroxyethyl)-6-(1,2-dihydroxy-2-(4-(phosphonooxy)phenyl)ethyl)-11,20,21,25-tetrahydroxy-26-methyl-2,5,8,14,17,23-hexaoxotricyclo[22.3.0.0<9,13>]heptacos-18-yl)(4-(4-(4-pentyloxyphenyl)phenyl)phenyl)formamide, sodium salt
• 英文别名: sodium;[4-[(1S,2S)-1,2-dihydroxy-2-[(3S,6S,9S,11R,15S,20R,21R,24S,25S,26S)-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[[4-[4-(4-pentoxyphenyl)phenyl]benzoyl]amino]-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]ethyl]phenyl] hydrogen phosphate
• 化学式: C58H73N7NaO20P
• 分子量: 1242.2
• InChiKey: WSDJMWHRBUNYBY-KKHUAXIGSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.79
• 重原子数：
  87
• 可旋转键数：
  16
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  427
• 氢给体数：
  14
• 氢受体数：
  20