![2,3,4-trihydroxy-7-methoxy-(2S,3R,4S,4aR)-2,3,4,6-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6-one](https://scimg.chem960.com/cas/0/28245-31-0.png "28245-31-0 2,3,4-trihydroxy-7-methoxy-(2S,3R,4S,4aR)-2,3,4,6-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6-one")
| InChIKey | LZAZURSABQIKGB-AEKGRLRDSA-N |
| Inchi | 1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1 |
| SMILES | O([H])[C@]1([H])[C@@]([H])([C@]([H])(C([H])=C2C3=C([H])C4=C(C(=C3C(N([H])[C@@]12[H])=O)O[H])OC([H])([H])O4)O[H])O[H] |
| BRN | 1087400 |
| LogP | -0.95860 |
| PSA | 128.48000 |
| 折射率 | 1.5300 (estimate) |
| 沸点 | 447.77°C (rough estimate) |
| 熔点 | 250-252 ºC |
| 溶解度 | 微溶 (3.4 g/L) (25 ºC), |
| 颜色与性状 | Powder |
| 密度 | 1.85±0.1 g/cm3 (20 ºC 760 Torr), |
| 精确分子量 | 307.06900 |
| 氢键供体数量 | 5 |
| 氢键受体数量 | 7 |
| 可旋转化学键数量 | 0 |
| 同位素质量 | 307.06920175 g/mol |
| 重原子数量 | 22 |
| 复杂度 | 523 |
| 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 | 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） | -1.2 |
| 拓扑分子极性表面积 | 129 |
| 分子量 | 307.25 |
| EINECS | 266535 |
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物理化学性质
产品用途
应用领域
化学品安全说明书(MSDS)
储运特性
