2-丙烯酰胺,2-甲基-N-(5-甲基-3-异[口噁]唑基)-(9CI)
- 中文名称:
- 2-丙烯酰胺,2-甲基-N-(5-甲基-3-异[口噁]唑基)-(9CI)
- 中文别名:
- 2-丙烯酰胺,2-甲基-N-(5-甲基-3-异[口噁]唑基)-(9CI)
- 英文名称:
- 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8,14-dihydroxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione
- 英文别名:
- 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8,14-dihydroxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione;
6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8,14-dihydroxy-5,7,9,12,13,15-hexamethyl-2,11-dioxaspiro[2.13]hexadecane-10,16-dione;
doleandomycin;
Xylopyranoside,6R,12S-dihydroxy-5S,7S,8R,11R,13R,15R-hexamethyl-4,10-dioxo-1,9-dioxaspiro(2,13)hexadec-14R-yl 3,4,6-trideoxy-3-(dimethylamino)-,betaD;
Desoleandomycin;
Deoleandrosyl-oleandomycin
- CAS No.:
- 4166-78-3
- 分 子 式:
-
C28H49NO9
- 分 子 量:
- 543.69000
- 精确分子量:
- 543.34100
- PSA:
- 138.29000
- InChI:
- The Key: NTKKUEDJAPFWRV-RBFWBBHISA-N3
- 分子结构式:
-
- SDS:
- 查看
2-丙烯酰胺,2-甲基-N-(5-甲基-3-异[口噁]唑基)-(9CI) 物化性质
- 密度:
- 1.19g/cm3
- 沸点:
- 707ºC at 760 mmHg
- 闪点:
- 381.4ºC
- 折射率:
- 1.532
2-丙烯酰胺,2-甲基-N-(5-甲基-3-异[口噁]唑基)-(9CI) 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):2.1
2.氢键供体数量:3
3.氢键受体数量:10
4.可旋转化学键数量:3
5.互变异构体数量:4
6.拓扑分子极性表面积:138
7.重原子数量:38
8.表面电荷:0
9.复杂度:839
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:14
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
2-丙烯酰胺,2-甲基-N-(5-甲基-3-异[口噁]唑基)-(9CI) 上游产品
竹桃霉素
(2S,3R,4S,6R)-2-(((3R,5R,6S,7R,8R,11R,12S,13S,14S,15S)-6,12-dihydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-1,9-dioxaspiro[2.13]hexadecan-14-yl)oxy)-4-(dimethylamino)-6-methyltetrahydro-2H-pyran-3-yl acetate
(1S,2R,2'R,5R,6R,7R,8R,9R,12S,13S,17R)-15-(4-bromophenyl)-7,9-dihydroxy-2,5,6,8,12,17-hexamethyl-4,14,16-trioxaspiro[bicyclo[11.3.1]heptadecane-10,2'-oxiran]-3-one
(1S,2R,5R,6R,7R,8R,9R,12S,13S,17R)-15-(4-bromophenyl)-7,9-dihydroxy-2,5,6,8,12,17-hexamethyl-10-methylene-4,14,16-trioxabicyclo[11.3.1]heptadecan-3-one
(1S,2R,2'R,5R,6R,7S,8R,12S,13S,17R)-15-(4-bromophenyl)-7-hydroxy-2,5,6,8,12,17-hexamethyl-4,14,16-trioxaspiro[bicyclo[11.3.1]heptadecane-10,2'-oxirane]-3,9-dione