Chem
J-GLOBAL ID:200907033613504236   Nikkaji number:J1.924.962J

1-[2-(4-Methoxytritylamino)-6-(benzyloxy)-8-azido-9H-purine-9-yl]-1,2-dideoxy-β-D-erythro-pentofuranose 3,5-diacetate

1-[2-(4-メトキシトリチルアミノ)-6-(ベンジルオキシ)-8-アジド-9H-プリン-9-イル]-1,2-ジデオキシ-β-D-erythro-ペントフラノース3,5-ジアセタート
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: C41H38N6[N-][N+]O7
Molecular formula furigana: C41-H38-N8-O7
Molecular weight: 754.804
InChI: InChI=1S/C41H38N8O7/c1-26(50)53-25-34-33(55-27(2)51)23-35(56-34)49-37-36(43-40(49)47-48-42)38(54-24-28-13-7-4-8-14-28)45-39(44-37)46-41(29-15-9-5-10-16-29,30-17-11-6-12-18-30)31-19-21-32(52-3)22-20-31/h4-22,33-35H,23-25H2,1-3H3,(H,44,45,46)/t33-,34+,35+/m0/s1
InChI key: UWODBVGZSPGRIJ-BMPTZRATSA-N
SMILES: COc1ccc(cc1)C(Nc1nc(OCc2ccccc2)c2nc(N=[N+]=[N-])n([C@H]3C[C@H](OC(=O)C)[C@@H](COC(=O)C)O3)c2n1)(c1ccccc1)c1ccccc1
Systematic name  (3):
  • 1-[2-(4-メトキシトリチルアミノ)-6-(ベンジルオキシ)-8-アジド-9H-プリン-9-イル]-1,2-ジデオキシ-β-D-erythro-ペントフラノース3,5-ジアセタート
  • [(2R,3S,5R)-3-(アセチルオキシ)-5-[8-アジド-6-(ベンジルオキシ)-2-{[(4-メトキシフェニル)ジフェニルメチル]アミノ}-9H-プリン-9-イル]オキソラン-2-イル]メチル アセタート
  • [(2R,3S,5R)-3-(acetyloxy)-5-[8-azido-6-(benzyloxy)-2-{[(4-methoxyphenyl)diphenylmethyl]amino}-9H-purin-9-yl]oxolan-2-yl]methyl acetate
Other name (1):
  • 1-[2-(4-Methoxytritylamino)-6-(benzyloxy)-8-azido-9H-purine-9-yl]-1,2-dideoxy-β-D-erythro-pentofuranose 3,5-diacetate
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