| InChIKey | MZNIJRAPCCELQX-AWOKGZDASA-N |
| Inchi | InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1 |
| SMILES | COC(=O)[C@@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)O |
| 溶解度 | 略溶 (11 g/L) (25 ºC), |
| 颜色与性状 | Powder |
| 密度 | 1.53±0.1 g/cm3 (20 ºC 760 Torr), |
| 精确分子量 | 368.11073221 g/mol |
| 氢键供体数量 | 5 |
| 氢键受体数量 | 9 |
| 可旋转化学键数量 | 6 |
| 同位素质量 | 368.11073221 g/mol |
| 重原子数量 | 26 |
| 复杂度 | 548 |
| 同位素原子数量 | 0 |
| 确定原子立构中心数量 | 4 |
| 不确定原子立构中心数量 | 0 |
| 确定化学键立构中心数量 | 1 |
| 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） | -0.1 |
| 拓扑分子极性表面积 | 154Ų |
| 分子量 | 368.3 |
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