| MDL | MFCD00069337 |
| InChIKey | ASNFTDCKZKHJSW-REOHCLBHSA-N |
| Inchi | 1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1 |
| SMILES | O1C(N([H])C(N1C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[H])=O)=O |
| LogP | -1.75820 |
| PSA | 131.32000 |
| Merck | 13,8177 |
| 折射率 | 1.6190 (estimate) |
| 水溶性 | Soluble in ethanol, water. Insoluble in organic solvents. |
| 沸点 | 324.36°C (rough estimate) |
| 熔点 | 185-187°C dec. |
| 闪点 | °C |
| 溶解度 | NH4OH 1 M: 20 mg/mL, clear, colorless |
| 颜色与性状 | 结晶 |
| 稳定性 | Stable. Incompatible with strong oxidizing agents. |
| 溶解性 | 能溶解于水的 |
| 比旋光度 | D20 +17.0° (c = 2.0 in 6M HCl) |
| 密度 | 1.6649 (rough estimate) |
| 精确分子量 | 189.03900 |
| 氢键供体数量 | 3 |
| 氢键受体数量 | 6 |
| 可旋转化学键数量 | 3 |
| 同位素质量 | 189.039 |
| 重原子数量 | 13 |
| 复杂度 | 265 |
| 同位素原子数量 | 0 |
| 确定原子立构中心数量 | 1 |
| 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） | -3.9 |
| 互变异构体数量 | 3 |
| 表面电荷 | 0 |
| 拓扑分子极性表面积 | 122 |
| 分子量 | 189.13 |
| EINECS | MFCD00069337 |
| 海关编码 | 2934999090 |
| 海关数据 |
中国海关编码：2934999090概述：2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% 申报要素：品名, 成分含量, 用途 Summary：2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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| PubChemId | 24278004 |
| Beilstein | 1078734 |
SMILES
OC(=O)[C@@H](N)CN1C(=O)NC(=O)O1
