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- 2-{2-[2-(1,3-苯并二噁唑-5-基)乙烯基]-5-硝基-1H-咪唑-1-基}乙醇
2-{2-[2-(1,3-苯并二噁唑-5-基)乙烯基]-5-硝基-1H-咪唑-1-基}乙醇
2-{2-[2-(1,3-苯并二噁唑-5-基)乙烯基]-5-硝基-1H-咪唑-1-基}乙醇 基本信息
- 中文名称:
- 2-{2-[2-(1,3-苯并二噁唑-5-基)乙烯基]-5-硝基-1H-咪唑-1-基}乙醇
- 中文别名:
- 2-{2-[2-(1,3-苯并二噁唑-5-基)乙烯基]-5-硝基-1H-咪唑-1-基}乙醇
- 英文名称:
- Butanamide,N-[[[1-carboxy-2-(3-hydroxyphenyl)ethyl]amino]carbonyl]methionyl-N-[[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)dihydro-4-hydroxy-2(3H)-furanylidene]methyl]-N3-methyl-N3-[(1,2,3,4-tetrahydro-6-hydroxy-3-isoquinolinyl)carbonyl]-D-2,3-diamino-(9CI)
- 英文别名:
- Butanamide,N-[[[1-carboxy-2-(3-hydroxyphenyl)ethyl]amino]carbonyl]methionyl-N-[[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)dihydro-4-hydroxy-2(3H)-furanylidene]methyl]-N3-methyl-N3-[(1,2,3,4-tetrahydro-6-hydroxy-3-isoquinolinyl)carbonyl]-D-2,3-diamino-(9C;
4-amino-10-hydroxy-1-(6-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-6-((E)-(4-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1(2H)-yl)dihydrofuran-2(3H)-ylidene)methyl)-12-(3-hydroxybenzyl)-2,3-dimethyl-8-(2-(methylthio)ethyl)-1,5,7-trioxo-2,6,9,11-tetraazatridec-9-en-13-oic acid
- CAS No.:
- 126049-03-4
- 分 子 式:
- C39H48N8O12S
- 分 子 量:
- 852.9098
- 精确分子量:
- 852.31100
- PSA:
- 328.00000
- 分子结构式:
-

- SDS:
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2-{2-[2-(1,3-苯并二噁唑-5-基)乙烯基]-5-硝基-1H-咪唑-1-基}乙醇 物化性质
2-{2-[2-(1,3-苯并二噁唑-5-基)乙烯基]-5-硝基-1H-咪唑-1-基}乙醇 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:9
3.氢键受体数量:15
4.可旋转化学键数量:15
5.互变异构体数量:729
6.拓扑分子极性表面积:319
7.重原子数量:60
8.表面电荷:0
9.复杂度:1680
10.同位素原子数量:0
11.确定原子立构中心数量:1
12.不确定原子立构中心数量:6
13.确定化学键立构中心数量:1
14.不确定化学键立构中心数量:0
15.共价键单元数量:1