英语词典化工词典

1H-Cycloundec[d]isoindole-1,12,15-trione,2,3,3a,4,6a,9,10,11-octahydro-11-hydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-,(3S,3aR,4S,6aS,7E,11S,13E,15aS)-

1H-Cycloundec[d]isoindole-1,12,15-trione,2,3,3a,4,6a,9,10,11-octahydro-11-hydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-,(3S,3aR,4S,6aS,7E,11S,13E,15aS)-


  • 中文别名:1,4-二硫烷-2-酮
  • 中文释义:1,4-二硫烷-2-酮;1H-Cycloundec(d)isoindole-1,12,15-trione,2,3,3a,4,6a,9,10,11-octahydro-11-hydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-,(3S,3aR,4S,6aS,7E,11S,13E,15aS)
  • 英文别名:1H-Cycloundec(d)isoindole-1,12,15-trione,2,3,3a,4,6a,9,10,11-octahydro-11-hydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-,(3S,3aR,4S,6aS,7E,11S,13E,15aS);
    1H-Cycloundec[d]isoindole-1,12,15-trione,2,3,3a,4,6a,9,10,11-octahydro-11-hydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-,(3S,3aR,4S,6aS,7E,11S,13E,15aS)- 
  • CAS No.:72363-47-4
  • 分子式:

    C24H33NO4

  • 分子量:0
  • 精确分子量:399.24100
  • PSA:86.96000
  • InChI:The Key: BVKOTAZOMFVYMH-HUKVCQRGSA-N
  • 分子结构式:

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):2.8

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:2

5.互变异构体数量:182

6.拓扑分子极性表面积:83.5

7.重原子数量:29

8.表面电荷:0

9.复杂度:806

10.同位素原子数量:0

11.确定原子立构中心数量:6

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:2

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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