β.-D-核-六吡喃糖,1,6-脱水-3-脱氧-4-O-(2-乙基己基)-2-O-甲基-, (S)-
- 中文名称:
- β.-D-核-六吡喃糖,1,6-脱水-3-脱氧-4-O-(2-乙基己基)-2-O-甲基-, (S)-
- 中文别名:
- β.-D-核-六吡喃糖,1,6-脱水-3-脱氧-4-O-(2-乙基己基)-2-O-甲基-, (S)-
- 英文名称:
- Pregnane-8,12,14,17,20-pentol,3-[(O-6-deoxy-3-O-methyl-b-D-allopyranosyl-(1®4)-O-2,6-dideoxy-3-O-methyl-b-D-arabino-hexopyranosyl-(1®4)-2,6-dideoxy-3-O-methyl-b-D-ribo-hexopyranosyl)oxy]-, 12-benzoate, (3b,5a,12b,14b,17a,20S)- (9CI)
- 英文别名:
- [3-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] benzoate;
Pregnane-8,12,14,17,20-pentol,3-[(O-6-deoxy-3-O-methyl-b-D-allopyranosyl-(1®4)-O-2,6-dideoxy-3-O-methyl-b-D-arabino-hexopyranosyl-(1®4)-2,6-dideoxy-3-O-methyl-b-D-ribo-hexopyranosyl)oxy]-, 12-benzoate, (3b,5a,12b,14b,17a,20S)- (9CI)
- CAS No.:
- 139953-35-8
- 分 子 式:
-
C49H76O17
- 分 子 量:
- 0
- 精确分子量:
- 936.50800
- PSA:
- 230.75000
- 分子结构式:
-

- SDS:
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β.-D-核-六吡喃糖,1,6-脱水-3-脱氧-4-O-(2-乙基己基)-2-O-甲基-, (S)- 物化性质
- 密度:
- 1.32g/cm3
- 沸点:
- 935.8ºC at 760 mmHg
- 闪点:
- 262.2ºC
- 折射率:
- 1.589
- 蒸汽压:
- 0mmHg at 25°C
β.-D-核-六吡喃糖,1,6-脱水-3-脱氧-4-O-(2-乙基己基)-2-O-甲基-, (S)- 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):2.6
2.氢键供体数量:6
3.氢键受体数量:17
4.可旋转化学键数量:13
5.互变异构体数量:无
6.拓扑分子极性表面积:231
7.重原子数量:66
8.表面电荷:0
9.复杂度:1670
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:23
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