正二十烷基磷酸胆碱-d42 | 869638-98-2

正二十烷基磷酸胆碱-d42
中文名称:正二十烷基磷酸胆碱-d42
英文名称:Tetradecylphosphocholine-D42
CAS No.:869638-98-2
分子式:C19H42NO4P 分子量:421.7736
名称和标识符
  • InChIKey:XGFMLRJDOIKIFG-YNRVKULASA-N
  • Inchi:1S/C19H42NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19(18-20(2,3)4)24-25(21,22)23/h19H,5-18H2,1-4H3,(H-,21,22,23)/i1D3,2D3,3D3,4D3,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D/hD
  • SMILES:P(=O)([O-])(O[2H])OC([2H])(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
英文别名
  • D98416
  • Tetradecylphosphocholine-D42
计算特性
  • 氢键供体数量:1
  • 氢键受体数量:4
  • 可旋转化学键数量:17
  • 重原子数量:25
  • 复杂度:350
  • 疏水参数计算参考值(XlogP):5.7
  • 拓扑分子极性表面积:69.6