Chem
J-GLOBAL ID:200907021273611620   Nikkaji number:J1.604.869K

2-(4-Methylphenylamino)-3′-O,5′-O-bis(tert-butyldimethylsilyl)-6-(benzyloxy)-2′-deoxy-6-deaminoadenosine

2-(4-メチルフェニルアミノ)-3′-O,5′-O-ビス(tert-ブチルジメチルシリル)-6-(ベンジルオキシ)-2′-デオキシ-6-デアミノアデノシン
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: C36H53N5O4Si2
Molecular formula furigana: C36-H53-N5-O4-SI2
Molecular weight: 676.021
InChI: InChI=1S/C36H53N5O4Si2/c1-25-17-19-27(20-18-25)38-34-39-32-31(33(40-34)42-22-26-15-13-12-14-16-26)37-24-41(32)30-21-28(45-47(10,11)36(5,6)7)29(44-30)23-43-46(8,9)35(2,3)4/h12-20,24,28-30H,21-23H2,1-11H3,(H,38,39,40)/t28-,29+,30+/m0/s1
InChI key: KAHDXCDZNQSSAZ-FRXPANAUSA-N
SMILES: Cc1ccc(Nc2nc(OCc3ccccc3)c3ncn([C@H]4C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O4)c3n2)cc1
Systematic name  (4):
  • 2-(4-メチルフェニルアミノ)-3′-O,5′-O-ビス(tert-ブチルジメチルシリル)-6-(ベンジルオキシ)-2′-デオキシ-6-デアミノアデノシン
  • N-(4-メチルフェニル)-6-(ベンジルオキシ)-3′-O,5′-O-ビス(tert-ブチルジメチルシリル)-2′-デオキシ-6-デオキソ-1,6-ジデヒドログアノシン
  • 6-(ベンジルオキシ)-9-[(2R,4S,5R)-4-[(tert-ブチルジメチルシリル)オキシ]-5-{[(tert-ブチルジメチルシリル)オキシ]メチル}オキソラン-2-イル]-N-(4-メチルフェニル)-9H-プリン-2-アミン
  • 6-(benzyloxy)-9-[(2R,4S,5R)-4-[(tert-butyldimethylsilyl)oxy]-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-2-yl]-N-(4-methylphenyl)-9H-purin-2-amine
Other name (2):
  • 2-(4-Methylphenylamino)-3′-O,5′-O-bis(tert-butyldimethylsilyl)-6-(benzyloxy)-2′-deoxy-6-deaminoadenosine
  • N-(4-Methylphenyl)-6-(benzyloxy)-3′-O,5′-O-bis(tert-butyldimethylsilyl)-2′-deoxy-6-deoxo-1,6-didehydroguanosine
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