(R*,R*)-5,5'-二(&#x3B2-D-吡喃葡萄糖氧基)-9,9',10,10'-四氢-4,4'-二羟基-10,10'-二羰基[9,9'-联蒽]-2,2'-二羧酸, 钙盐
- 中文名称:
- (R*,R*)-5,5'-二(&#x3B2-D-吡喃葡萄糖氧基)-9,9',10,10'-四氢-4,4'-二羟基-10,10'-二羰基[9,9'-联蒽]-2,2'-二羧酸, 钙盐
- 中文别名:
- (R*,R*)-5,5'-二(&#x3B2-D-吡喃葡萄糖氧基)-9,9',10,10'-四氢-4,4'-二羟基-10,10'-二羰基[9,9'-联蒽]-2,2'-二羧酸, 钙盐
- 英文名称:
- [9,9'-Bianthracene]-2,2'-dicarboxylicacid, 5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-,calcium salt, (9R,9'R)- (9CI)
- 英文别名:
- calcium,(10R)-3-carboxy-10-[2-carboxy-4-oxido-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-9-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-1-olate;
(R*,R*)-5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo[9,9'-bianthracene]-2,2'-dicarboxylic acid, calcium salt;
SENNOSIDEA,CALCIUMSALT;
A-CALCIUM SENNOSIDES;
rel-(9R*,9'R*)-5,5'-Bis(β-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-9,9'-bianthracene-2,2'-dicarboxylic acid/calcium,(1:x) salt
- CAS No.:
- 52730-36-6
- 分 子 式:
-
C42H38O20.xCa
- 分 子 量:
- 900.80124
- 精确分子量:
- 900.14300
- PSA:
- 353.62000
- EINECS:
- 258-140-5
- InChI:
- The Key: JQVYZJIFFAHQKX-ZYBSODLPSA-L3
- 分子结构式:
-

- SDS:
- 查看
(R*,R*)-5,5'-二(&#x3B2-D-吡喃葡萄糖氧基)-9,9',10,10'-四氢-4,4'-二羟基-10,10'-二羰基[9,9'-联蒽]-2,2'-二羧酸, 钙盐 物化性质
- 沸点:
- 1144.8ºC at 760 mmHg
- 闪点:
- 348.6ºC
(R*,R*)-5,5'-二(&#x3B2-D-吡喃葡萄糖氧基)-9,9',10,10'-四氢-4,4'-二羟基-10,10'-二羰基[9,9'-联蒽]-2,2'-二羧酸, 钙盐 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):无
2.氢键供体数量:10
3.氢键受体数量:20
4.可旋转化学键数量:9
5.互变异构体数量:无
6.拓扑分子极性表面积:354
7.重原子数量:63
8.表面电荷:0
9.复杂度:1550
10.同位素原子数量:0
11.确定原子立构中心数量:11
12.不确定原子立构中心数量:1
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:2