Inchi | InChI=1S/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6+;/m0./s1 |
InChIKey | LZSCQUCOIRGCEJ-FPKZOZHISA-N |
SMILES | O.[C@H]1(O[C@@H]([C@H](C1)O)CO)[N]2C3=C(N=C2)C(=O)NC(=N3)N |
精确分子量 | 267.09700 |
氢键供体数量 | 6 |
氢键受体数量 | 10 |
重原子数量 | 20 |
可旋转化学键数量 | 2 |
熔点 | >300 °C (dec.)(lit.) |
溶解度 | NH4OH 1 M: 50 mg/mL, clear to very faintly turbid, yellow to brown |
PSA | 139.28000 |
LogP | -1.07630 |
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% |
Beilstein | 39814 |
SMILES
O.OC[C@H]1O[C@H](C[C@H]1O)N2C3=C(N=C2)C(=O)N=C(N)N3