Chem
J-GLOBAL ID:200907027283004118   Nikkaji number:J2.739.124I

5′-O-(tert-Butyldiphenylsilyl)-8-[2-[6-(dimethoxymethyl)-9,10-dioxo-2-anthryl]ethyl]-2′-deoxyadenosine

5′-O-(tert-ブチルジフェニルシリル)-8-[2-[6-(ジメトキシメチル)-9,10-ジオキソ-2-アントリル]エチル]-2′-デオキシアデノシン
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: C45H47N5O7Si
Molecular formula furigana: C45-H47-N5-O7-SI
Molecular weight: 797.984
InChI: InChI=1S/C45H47N5O7Si/c1-45(2,3)58(29-12-8-6-9-13-29,30-14-10-7-11-15-30)56-25-36-35(51)24-38(57-36)50-37(49-39-42(46)47-26-48-43(39)50)21-17-27-16-19-31-33(22-27)40(52)32-20-18-28(44(54-4)55-5)23-34(32)41(31)53/h6-16,18-20,22-23,26,35-36,38,44,51H,17,21,24-25H2,1-5H3,(H2,46,47,48)/t35-,36+,38+/m0/s1
InChI key: XPHBWSAGWDYEQJ-QOZRZDGHSA-N
SMILES: COC(OC)c1ccc2C(=O)c3cc(CCc4nc5c(N)ncnc5n4[C@H]4C[C@H](O)[C@@H](CO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)O4)ccc3C(=O)c2c1
Systematic name  (3):
  • 5′-O-(tert-ブチルジフェニルシリル)-8-[2-[6-(ジメトキシメチル)-9,10-ジオキソ-2-アントリル]エチル]-2′-デオキシアデノシン
  • 2-(2-{6-アミノ-9-[(2R,4S,5R)-5-{[(tert-ブチルジフェニルシリル)オキシ]メチル}-4-ヒドロキシオキソラン-2-イル]-9H-プリン-8-イル}エチル)-6-(ジメトキシメチル)-9,10-ジヒドロアントラセン-9,10-ジオン
  • 2-(2-{6-amino-9-[(2R,4S,5R)-5-{[(tert-butyldiphenylsilyl)oxy]methyl}-4-hydroxyoxolan-2-yl]-9H-purin-8-yl}ethyl)-6-(dimethoxymethyl)-9,10-dihydroanthracene-9,10-dione
Other name (1):
  • 5′-O-(tert-Butyldiphenylsilyl)-8-[2-[6-(dimethoxymethyl)-9,10-dioxo-2-anthryl]ethyl]-2′-deoxyadenosine
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