InChIKey | FIUKBOHZSAVHEV-UQWSCNRSSA-N |
---|---|
Inchi | 1S/C36H60O18/c1-15-29(40)34(44-10)35(50-20(6)37)36(49-15)54-33-19(5)48-27(14-24(33)43-9)51-30-16(2)46-26(11-21(30)38)52-32-18(4)47-28(13-23(32)42-8)53-31-17(3)45-25(39)12-22(31)41-7/h15-19,21-24,26-36,38,40H,11-14H2,1-10H3/t15-,16-,17-,18-,19-,21-,22-,23+,24+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35-,36+/m1/s1 |
SMILES | O([C@@]1([H])C([H])([H])[C@@]([H])([C@@]([H])([C@@]([H])(C([H])([H])[H])O1)O[C@@]1([H])[C@@]([H])([C@]([H])([C@]([H])([C@@]([H])(C([H])([H])[H])O1)O[H])OC([H])([H])[H])OC(C([H])([H])[H])=O)OC([H])([H])[H])[C@]1([H])[C@@]([H])(C([H])([H])[H])O[C@]([H])(C([H])([H])[C@@]1([H])O[H])O[C@]1([H])[C@@]([H])(C([H])([H])[H])O[C@]([H])(C([H])([H])[C@]1([H])OC([H])([H])[H])O[C@]1([H])[C@@]([H])(C([H])([H])[H])OC(C([H])([H])[C@@]1([H])OC([H])([H])[H])=O |
溶解度 | 易溶 (170 g/L) (25 ºC), |
---|---|
颜色与性状 | Powder |
密度 | 1.29±0.1 g/cm3 (20 ºC 760 Torr), |
氢键供体数量 | 2 |
---|---|
氢键受体数量 | 18 |
可旋转化学键数量 | 14 |
重原子数量 | 54 |
复杂度 | 1210 |
拓扑分子极性表面积 | 204 |