芦丁糖,芸香糖 | 90-74-4
芦丁糖,芸香糖
Rutinose
90-74-4
C12H22O10
326.297085285187
名称和标识符
MDL |
MFCD00161473 |
InChIKey |
CPYCUQCIDSHOHI-IFLAJBTPSA-N |
Inchi |
1S/C12H22O10/c1-4-7(16)10(19)11(20)12(22-4)21-3-6(15)9(18)8(17)5(14)2-13/h2,4-12,14-20H,3H2,1H3/t4-,5-,6+,7-,8+,9+,10+,11+,12+/m0/s1 |
SMILES |
O([C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O |
别名信息
- 中文别名 -
- 芦丁糖,芸香糖
- 芸香糖
- 芦丁糖
- 芸香
- 芸香糖 (芦丁糖)
- 6-O-(6-脱氧-α-L-低聚吡喃基)-D-葡萄糖
- 英文别名 -
- D-Glucose,6-O-(6-deoxy-a-L-mannopyranosyl)-
- RUTINOSE(RG)
- Rutinose
- Einecs 202-014-4
- 6-O-(6-Deoxy-α-L-mannopyranosyl)-D-glucose (ACI)
物化性质
实验特性
LogP |
-4.52700 |
PSA |
177.14000 |
Merck |
8305 |
折射率 |
-1 ° (C=4, H2O) |
沸点 |
384.35°C (rough estimate) |
熔点 |
190.5°C (rough estimate) |
闪点 |
315.5°C |
比旋光度 |
D20 +3.2° +0.8° (c = 4 in water); D20 -10° (95% alc) |
密度 |
1.3611 (rough estimate) |
计算特性
精确分子量 |
326.12100 |
氢键供体数量 |
7 |
氢键受体数量 |
10 |
可旋转化学键数量 |
3 |
同位素质量 |
326.121297 |
重原子数量 |
22 |
复杂度 |
368 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
10 |
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) |
-4.2 |
表面电荷 |
0 |
拓扑分子极性表面积 |
169 |
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