114519-85-6 ((Sodium bis(1H,1H,2H,2H-perfluorodecyl)phosphate)

CAS号:
114519-85-6
英文名称:
Sodium bis(1H,1H,2H,2H-perfluorodecyl)phosphate
分子式:
C20H8F34NaO4P
分子量:
1012.18437767029

Sodium bis(1H,1H,2H,2H-perfluorodecyl)phosphate(114519-85-6)名称与标识符

名称

英文别名:
Sodium bis(1H,1H,2H,2H-perfluorodecyl)phosphate;

标识符

InChIKey:
SVRHGUKXMZZVSF-UHFFFAOYSA-M
Inchi:
1S/C20H9F34O4P.Na/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54;/h1-4H2,(H,55,56);/q;+1/p-1
SMILES:
P(=O)([O-])(OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[Na+]

Sodium bis(1H,1H,2H,2H-perfluorodecyl)phosphate(114519-85-6)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 38
  • 可旋转化学键数量 : 20
  • 重原子数量 : 60
  • 复杂度 : 1420
  • 拓扑分子极性表面积 : 58.6