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      960化工網
      疫情期間推廣專線15252491845(微信同號)
      6-(Nitrooxy)-hexanoic acid, (1S,2E)-3-[(1R,2R,3S,5R)-2-[(2Z)-7-(ethylamino)-7-oxo-2-hepten-1-yl]-3,5-dihydroxycyclopentyl]-1-(2-phenylethyl)-2-propen-1-yl ester

      共找到1家“6-(Nitrooxy)-hexanoic acid, (1S,2E)-3-[(1R,2R,3S,5R)-2-[(2Z)-7-(ethylamino)-7-oxo-2-hepten-1-yl]-3,5-dihydroxycyclopentyl]-1-(2-phenylethyl)-2-propen-1-yl ester“產品

      名稱和標識符

      Inchi : 1S/C31H46N2O8/c1-2-32-30(36)16-10-4-3-9-15-26-27(29(35)23-28(26)34)21-20-25(19-18-24-13-7-5-8-14-24)41-31(37)17-11-6-12-22-40-33(38)39/h3,5,7-9,13-14,20-21,25-29,34-35H,2,4,6,10-12,15-19,22-23H2,1H3,(H,32,36)/b9-3-,21-20+/t25-,26+,27+,28-,29+/m0/s1

      InChIKey : NTQMJNDRYSYWNJ-BPXWCPHMSA-N

      SMILES : O([H])[C@@]1([H])C([H])([H])[C@]([H])([C@]([H])(/C(/[H])=C(\[H])/[C@]([H])(C([H])([H])C([H])([H])C2C([H])=C([H])C([H])=C([H])C=2[H])OC(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])O[N+](=O)[O-])=O)[C@@]1([H])C([H])([H])/C(/[H])=C(/[H])\C([H])([H])C([H])([H])C([H])([H])C(N([H])C([H])([H])C([H])([H])[H])=O)O[H]

      英文別名
      • 6-(nitrooxy)-hexanoic acid, (1S,2E)-3-[(1R,2R,3S,5R)-2-[(2Z)-7-(ethylamino)-7-oxo-2-hepten-1-yl]-3,5-dihydroxycyclopentyl]-1-(2-phenylethyl)-2-propen-1-yl ester
      • [(E,3S)-1-[(1R,2R,3S,5R)-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]-3,5-dihydroxycyclopentyl]-5-phenylpent-1-en-3-yl] 6-nitrooxyhexanoate
      物化性質
      計算特性

      氫鍵供體數量 : 3

      氫鍵受體數量 : 8

      重原子數量 : 41

      可旋轉化學鍵數量 : 20

      復雜度 : 821

      疏水參數計算參考值(XlogP) : 4.7

      拓撲分子極性表面積 : 151

      6-(Nitrooxy)-hexanoic acid, (1S,2E)-3-[(1R,2R,3S,5R)-2-[(2Z)-7-(ethylamino)-7-oxo-2-hepten-1-yl]-3,5-dihydroxycyclopentyl]-1-(2-phenylethyl)-2-propen-1-yl ester相關問答
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