(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结构式图片|1291094-67-1结构式图片

英文名称：(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
CAS No.：1291094-67-1 分子式：C₂₁H₂₃BrO₇ 分子量：467.3071
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

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
InChIKey	JUHGKROOWPWQOA-ADAARDCZSA-N
SMILES	BrC1C([H])=C([H])C(=C([H])C=1C([H])([H])C1C([H])=C([H])C2=C(C=1[H])OC([H])([H])C([H])([H])O2)[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H]

别名信息

- 中文别名 -

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- 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

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物化性质

计算特性

氢键供体数量	4
氢键受体数量	7
重原子数量	29
可旋转化学键数量	4
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