| InChIKey | AZKVWQKMDGGDSV-BCMRRPTOSA-N |
| Inchi | 1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1 |
| SMILES | O1C([H])=C(C(=O)OC([H])([H])[H])[C@@]2([H])C([H])([H])C([H])=C(C([H])([H])O[H])[C@@]2([H])[C@]1([H])O[H] |
| LogP | -0.05330 |
| PSA | 75.99000 |
| 折射率 | 1.4720 (estimate) |
| 沸点 | 416°C at 760 mmHg |
| 熔点 | 118.0 to 123.0 deg-C |
| 溶解度 | DMSO: ≥25mg/mL |
| 颜色与性状 | Powder |
| 溶解性 | 不可用 |
| 最大波长(λmax) | 240(MeOH)(lit.) |
| 密度 | 1.1230 (rough estimate) |
| 精确分子量 | 226.08400 |
| 氢键供体数量 | 2 |
| 氢键受体数量 | 5 |
| 可旋转化学键数量 | 3 |
| 同位素质量 | 226.08412354 g/mol |
| 重原子数量 | 16 |
| 复杂度 | 357 |
| 同位素原子数量 | 0 |
| 确定原子立构中心数量 | 3 |
| 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） | -0.7 |
| 互变异构体数量 | 无 |
| 表面电荷 | 0 |
| 拓扑分子极性表面积 | 76 |
| 分子量 | 226.23 |
| MDL | MFCD00888600 |
| 海关编码 | 2942000000 |
| 海关数据 |
中国海关编码：2942000000 |
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Gelapin, a degradable genipin cross-linked gelatin hydrogel
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Chitosan–genipin film, a sustainable methodology for wine preservation
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Genipin-cross-linked hydrogels based on biomaterials for drug delivery: a review
Yibin Yu,Shuo Xu,Sanming Li,Hao Pan Biomater. Sci. 2021 9 1583
| Reaxys RN | 5341873 |
物理化学性质
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