(16S,17S,18R,20R,22R,24S,26S,28R,30R,32R,35S,36S)-36-[(2S)-丁烷-2-基]-16,18,20,22,24,26,28,30,32-九羟基-17,35-甲基氧杂环三十六碳-3,5,7,9,11,13,33-七烯-2-酮

  • 基本信息
  • 结构与计算化学

(16S,17S,18R,20R,22R,24S,26S,28R,30R,32R,35S,36S)-36-[(2S)-丁烷-2-基]-16,18,20,22,24,26,28,30,32-九羟基-17,35-甲基氧杂环三十六碳-3,5,7,9,11,13,33-七烯-2-酮 基本信息

中文名称:
(16S,17S,18R,20R,22R,24S,26S,28R,30R,32R,35S,36S)-36-[(2S)-丁烷-2-基]-16,18,20,22,24,26,28,30,32-九羟基-17,35-甲基氧杂环三十六碳-3,5,7,9,11,13,33-七烯-2-酮 
中文别名:
(16S,17S,18R,20R,22R,24S,26S,28R,30R,32R,35S,36S)-36-[(2S)-丁烷-2-基]-16,18,20,22,24,26,28,30,32-九羟基-17,35-甲基氧杂环三十六碳-3,5,7,9,11,13,33-七烯-2-酮 
英文名称:
Oxacyclohexatriaconta-3,5,7,9,11,13,33-heptaen-2-one,16,18,20,22,24,26,28,30,32-nonahydroxy-17,35-dimethyl-36-[(1S)-1-methylpropyl]-,(3E,5E,7E,9E,11E,13E,16S,17S,18R,20R,22R,24S,26S,28R,30R,32R,33E,35S,36S)-
英文别名:
Oxacyclohexatriaconta-3,5,7,9,11,13,33-heptaen-2-one,16,18,20,22,24,26,28,30,32-nonahydroxy-17,35-dimethyl-36-[(1S)-1-methylpropyl]-,(3E,5E,7E,9E,11E,13E,16S,17S,18R,20R,22R,24S,26S,28R,30R,32R,33E,35S,36S)- 
CAS No.:
51141-40-3
分 子 式:
C41H66O11
分 子 量:
0
分子结构式:
SDS:
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(16S,17S,18R,20R,22R,24S,26S,28R,30R,32R,35S,36S)-36-[(2S)-丁烷-2-基]-16,18,20,22,24,26,28,30,32-九羟基-17,35-甲基氧杂环三十六碳-3,5,7,9,11,13,33-七烯-2-酮 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):5.3

2.氢键供体数量:9

3.氢键受体数量:11

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积:208

7.重原子数量:52

8.表面电荷:0

9.复杂度:1180

10.同位素原子数量:0

11.确定原子立构中心数量:13

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:7

15.共价键单元数量:1

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