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N2-Isobutyryl-O6-cyanoethyl-7’-OH-N-trityl-morpholino guanine

共找到1家“N2-Isobutyryl-O6-cyanoethyl-7’-OH-N-trityl-morpholino guanine“产品

名称和标识符

Inchi : 1S/C36H37N7O4/c1-25(2)33(45)40-35-39-32-31(34(41-35)46-20-19-37-3)38-24-43(32)30-22-42(21-29(23-44)47-30)36(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-18,24-25,29-30,44H,19-23H2,1-2H3,(H,39,40,41,45)

InChIKey : HQEHJGDDNLOFPV-UHFFFAOYSA-N

SMILES : O1C([H])(C([H])([H])O[H])C([H])([H])N(C([H])([H])C1([H])N1C([H])=NC2C(=NC(N([H])C(C([H])(C([H])([H])[H])C([H])([H])[H])=O)=NC1=2)OC([H])([H])C([H])([H])[N+]#[C-])C(C1C([H])=C([H])C([H])=C([H])C=1[H])(C1C([H])=C([H])C([H])=C([H])C=1[H])C1C([H])=C([H])C([H])=C([H])C=1[H]

英文别名
  • N-(9-((2R,6S)-6-(Hydroxymethyl)-4-tritylmorpholin-2-yl)-6-(2-isocyanoethoxy)-9H-purin-2-yl)isobutyramide
  • N-[9-[6-(Hydroxymethyl)-4-tritylmorpholin-2-yl]-6-(2-isocyanoethoxy)purin-2-yl]-2-methylpropanamide
物化性质
计算特性

氢键供体数量 : 2

氢键受体数量 : 9

重原子数量 : 47

可旋转化学键数量 : 11

复杂度 : 1010

疏水参数计算参考值(XlogP) : 4.4

拓扑分子极性表面积 : 119