InChIKey | MSSYPWFHLFBMMP-BQAOMNQWSA-N |
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Inchi | 1S/C41H68O14/c1-35(2)24(53-33-29(49)26(46)21(45)17-51-33)9-11-41-18-40(41)13-12-37(5)32(20(44)15-38(37,6)23(40)14-19(43)31(35)41)39(7)10-8-25(54-39)36(3,4)55-34-30(50)28(48)27(47)22(16-42)52-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,37+,38-,39+,40-,41+/m0/s1 |
SMILES | O([H])[C@@]1([H])C([H])([H])[C@@]2([H])[C@]3(C([H])([H])[H])C([H])([H])[C@@]([H])([C@]([H])([C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C(C([H])([H])[H])(C([H])([H])[H])O[C@@]5([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O5)O[H])O[H])O[H])O4)[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]32C([H])([H])[C@]23C([H])([H])C([H])([H])[C@@]([H])(C(C([H])([H])[H])(C([H])([H])[H])[C@@]21[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])(C([H])([H])O1)O[H])O[H])O[H])O[H] |
溶解度 | 几乎不溶 (0.046 g/L) (25 ºC), |
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颜色与性状 | Powder |
密度 | 1.39±0.1 g/cm3 (20 ºC 760 Torr), |
氢键供体数量 | 9 |
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氢键受体数量 | 14 |
可旋转化学键数量 | 7 |
重原子数量 | 55 |
复杂度 | 1460 |
拓扑分子极性表面积 | 228 |