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(2S,3R,4R,5S,6R)-2-(4-bromo-3-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol | 1291094-67-1
(2S,3R,4R,5S,6R)-2-(4-bromo-3-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol | 1291094-67-1
(2S,3R,4R,5S,6R)-2-(4-bromo-3-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
1291094-67-1
C21H23BrO7
467.307126283646
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:(2S,3R,4R,5S,6R)-2-(4-bromo-3-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol结构式
名称和标识符
InChIKey |
JUHGKROOWPWQOA-ADAARDCZSA-N |
Inchi |
1S/C21H23BrO7/c22-14-3-2-12(21-20(26)19(25)18(24)17(10-23)29-21)9-13(14)7-11-1-4-15-16(8-11)28-6-5-27-15/h1-4,8-9,17-21,23-26H,5-7,10H2/t17-,18-,19+,20-,21+/m1/s1 |
SMILES |
BrC1C=CC(=CC=1CC1C=CC2=C(C=1)OCCO2)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O |
别名信息
- 英文别名 -
- (2S,3R,4R,5S,6R)-2-(4-bromo-3-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
物化性质
计算特性
氢键供体数量 |
4 |
氢键受体数量 |
7 |
可旋转化学键数量 |
4 |
重原子数量 |
29 |
复杂度 |
537 |
疏水参数计算参考值(XlogP) |
1.8 |
拓扑分子极性表面积 |
109 |
960化工网为您提供(2S,3R,4R,5S,6R)-2-(4-bromo-3-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:1291094-67-1,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等