| MDL | MFCD09842608 |
| InChIKey | FDQAOULAVFHKBX-UHFFFAOYSA-N |
| Inchi | 1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3 |
| SMILES | O1C2C([H])=C(C([H])=C([H])C=2OC([H])(C2C([H])=C([H])C(=C(C=2[H])OC([H])([H])[H])O[H])C1([H])C([H])([H])O[H])C1([H])C([H])(C(C2=C(C([H])=C(C([H])=C2O1)O[H])O[H])=O)O[H] |
| LogP | 2.36270 |
| PSA | 155.14000 |
| 熔点 | 239-241°C |
| 溶解度 | 77.36 mg/L @ 25 °C (est) |
| 颜色与性状 | Powder |
| 精确分子量 | 482.12100 |
| 氢键供体数量 | 5 |
| 氢键受体数量 | 10 |
| 可旋转化学键数量 | 4 |
| 同位素质量 | 482.12129689 g/mol |
| 重原子数量 | 35 |
| 复杂度 | 750 |
| 同位素原子数量 | 0 |
| 确定原子立构中心数量 | 0 |
| 不确定原子立构中心数量 | 4 |
| 确定化学键立构中心数量 | 0 |
| 不确定化学键立构中心数量 | 0 |
| 共价键单元数量 | 1 |
| 疏水参数计算参考值（XlogP） | 2.4 |
| 拓扑分子极性表面积 | 155 |
| 分子量 | 482.4 |
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