N-(2-苯甲酰-4-溴苯基)-2-氯乙酰胺

  • 基本信息
  • 物化性质
  • 结构与计算化学

N-(2-苯甲酰-4-溴苯基)-2-氯乙酰胺 基本信息

中文名称:
N-(2-苯甲酰-4-溴苯基)-2-氯乙酰胺 
中文别名:
N-(2-苯甲酰-4-溴苯基)-2-氯乙酰胺 
英文名称:
30-Noroleana-12,20(29)-dien-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)- (9CI)
英文别名:
30-Noroleana-12,20(29)-dien-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)- (9CI);
6-(((3,4-dihydroxy-6-(hydroxymethyl)-5-((3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl 10-((3-((3,5-dihydroxy-6-methyl-4-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-6a,6b,9,9,12a-pentamethyl-2-methylene-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate 
CAS No.:
128553-98-0
分 子 式:
C64H102O30
分 子 量:
0
精确分子量:
1350.65000
PSA:
471.74000
分子结构式:
SDS:
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N-(2-苯甲酰-4-溴苯基)-2-氯乙酰胺 物化性质

密度:
1.52g/cm3
折射率:
1.647

N-(2-苯甲酰-4-溴苯基)-2-氯乙酰胺 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):-3.6

2.氢键供体数量:17

3.氢键受体数量:30

4.可旋转化学键数量:16

5.互变异构体数量:无

6.拓扑分子极性表面积:472

7.重原子数量:94

8.表面电荷:0

9.复杂度:2670

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:37

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

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