Chem
J-GLOBAL ID：200907013900239437   Nikkaji number：J1.754.243E

2′-O,3′-O-Isopropylidene-5′-O-[methoxy[[[(2S)-1-tritylpyrrolidine-2α-yl]carbonyl]amino]phosphinyl]-7,8-dihydro-8-oxo-N-acetyladenosine

2′-O,3′-O-イソプロピリデン-5′-O-[メトキシ[[[(2S)-1-トリチルピロリジン-2α-イル]カルボニル]アミノ]ホスフィニル]-7,8-ジヒドロ-8-オキソ-N-アセチルアデノシン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C40H44N7O9P
Molecular formula furigana： C40-H44-N7-O9-P
Molecular weight： 797.806
InChI： InChI=1S/C40H44N7O9P/c1-25(48)43-34-31-35(42-24-41-34)47(38(50)44-31)37-33-32(55-39(2,3)56-33)30(54-37)23-53-57(51,52-4)45-36(49)29-21-14-22-46(29)40(26-15-8-5-9-16-26,27-17-10-6-11-18-27)28-19-12-7-13-20-28/h5-13,15-20,24,29-30,32-33,37H,14,21-23H2,1-4H3,(H,44,50)(H,45,49,51)(H,41,42,43,48)/t29-,30+,32+,33+,37+,57?/m0/s1
InChI key： OVEGXKCCEOEIOR-DVCPSADFSA-N
SMILES： COP(=O)(NC(=O)[C@@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1)OC[C@H]1O[C@H]([C@@H]2OC(C)(C)O[C@H]12)n1c2ncnc(NC(=O)C)c2[nH]c1=O
Systematic name  (3)：
  • 2′-O,3′-O-イソプロピリデン-5′-O-[メトキシ[[[(2S)-1-トリチルピロリジン-2α-イル]カルボニル]アミノ]ホスフィニル]-7,8-ジヒドロ-8-オキソ-N-アセチルアデノシン
  • (2S)-N-({[(3aR,4R,6R,6aR)-6-(6-アセトアミド-8-オキソ-8,9-ジヒドロ-7H-プリン-9-イル)-2,2-ジメチル-テトラヒドロ-2H-フロ[3,4-d][1,3]ジオキソール-4-イル]メトキシ}(メトキシ)ホスホリル)-1-(トリフェニルメチル)ピロリジン-2-カルボキサミド
  • (2S)-N-({[(3aR,4R,6R,6aR)-6-(6-acetamido-8-oxo-8,9-dihydro-7H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methoxy}(methoxy)phosphoryl)-1-(triphenylmethyl)pyrrolidine-2-carboxamide
Other name (1)：
  • 2′-O,3′-O-Isopropylidene-5′-O-[methoxy[[[(2S)-1-tritylpyrrolidine-2α-yl]carbonyl]amino]phosphinyl]-7,8-dihydro-8-oxo-N-acetyladenosine
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