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8-喹啉磺酸,6-丙基- 基本信息
- 中文名称:
- 8-喹啉磺酸,6-丙基-
- 中文别名:
- 8-喹啉磺酸,6-丙基-
- 英文名称:
- Benz[a]anthracene-1,7,12(2H)-trione,9-[2,6-dideoxy-3-O-[(2S,5S,6S)-5-[(2,6-dideoxy-b-D-arabino-hexopyranosyl)oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-b-D-arabino-hexopyranosyl]-3,4,4a,12b-tetrahydro-3,4a,8-trihydroxy-3-methyl-5-(methylthio)-12b-[[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-,(3R,4aS,12bS)-
- 英文别名:
- Benz[a]anthracene-1,7,12(2H)-trione,9-[2,6-dideoxy-3-O-[(2S,5S,6S)-5-[(2,6-dideoxy-b-D-arabino-hexopyranosyl)oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-b-D-arabino-hexopyranosyl]-3,4,4a,12b-tetrahydro-3,4a,8-trihydroxy-3-methyl-5-(methylthio)-12b-[[(2S,5S,6S);
9-(4-((5-((4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-3,4a,8-trihydroxy-12b-((5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3-methyl-5-(methylthio)-3,4,4a,12b-tetrahydrotetraphene-1,7,12(2H)-trione
- CAS No.:
- 104542-47-4
- 分 子 式:
- C44H58O17S
- 分 子 量:
- 0
- 精确分子量:
- 890.33900
- PSA:
- 282.73000
- 分子结构式:
-

- SDS:
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8-喹啉磺酸,6-丙基- 物化性质
- 密度:
- 1.49g/cm3
- 沸点:
- 1026.2ºC at 760mmHg
- 闪点:
- 574.4ºC
- 折射率:
- 1.657
- 蒸汽压:
- 0mmHg at 25°C
8-喹啉磺酸,6-丙基- 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值(XlogP):0.6
2.氢键供体数量:7
3.氢键受体数量:18
4.可旋转化学键数量:8
5.互变异构体数量:10
6.拓扑分子极性表面积:283
7.重原子数量:62
8.表面电荷:0
9.复杂度:1810
10.同位素原子数量:0
11.确定原子立构中心数量:17
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1