Chem
J-GLOBAL ID:200907086076098265   Nikkaji number:J1.754.241I

2′-O,3′-O-Isopropylidene-5′-O-[methoxy[[[(2S)-1-tritylpyrrolidine-2α-yl]carbonyl]amino]phosphinyl]-7,8-dihydro-8-oxo-N-(4,4′-dimethoxytrityl)adenosine

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-(4,4′-ジメトキシトリチル)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: C59H60N7O10P
Molecular formula furigana: C59-H60-N7-O10-P
Molecular weight: 1058.142
InChI: InChI=1S/C59H60N7O10P/c1-57(2)75-50-48(37-73-77(69,72-5)64-54(67)47-27-18-36-65(47)59(42-21-12-7-13-22-42,43-23-14-8-15-24-43)44-25-16-9-17-26-44)74-55(51(50)76-57)66-53-49(62-56(66)68)52(60-38-61-53)63-58(39-19-10-6-11-20-39,40-28-32-45(70-3)33-29-40)41-30-34-46(71-4)35-31-41/h6-17,19-26,28-35,38,47-48,50-51,55H,18,27,36-37H2,1-5H3,(H,62,68)(H,60,61,63)(H,64,67,69)/t47-,48+,50+,51+,55+,77?/m0/s1
InChI key: DVYJSWIJHMWJMM-ITYFLEMMSA-N
SMILES: COc1ccc(cc1)C(Nc1ncnc2n([C@@H]3O[C@H](COP(=O)(NC(=O)[C@@H]4CCCN4C(c4ccccc4)(c4ccccc4)c4ccccc4)OC)[C@H]4OC(C)(C)O[C@@H]34)c(=O)[nH]c12)(c1ccccc1)c1ccc(OC)cc1
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-(4,4′-ジメトキシトリチル)アデノシン
  • (2S)-N-({[(3aR,4R,6R,6aR)-6-(6-{[ビス(4-メトキシフェニル)(フェニル)メチル]アミノ}-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-{[bis(4-methoxyphenyl)(phenyl)methyl]amino}-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-(4,4′-dimethoxytrityl)adenosine
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