Chem
J-GLOBAL ID：201707012826175827   Nikkaji number：J3.542.558F

N-Benzoyl-2′-O,3′-O-bis(tert-butyldimethylsilyl)-5′-O-[2-cyanoethoxy[(N-benzoyl-2′-deoxy-3′-cytidyl)oxy]phosphinyl]adenosine

N-ベンゾイル-2′-O,3′-O-ビス(tert-ブチルジメチルシリル)-5′-O-[2-シアノエトキシ[(N-ベンゾイル-2′-デオキシ-3′-シチジル)オキシ]ホスフィニル]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： C48H64N9O12PSi2
Molecular formula furigana： C48-H64-N9-O12-P-SI2
Molecular weight： 1046.234
InChI： InChI=1S/C48H64N9O12PSi2/c1-47(2,3)71(7,8)68-39-35(66-45(40(39)69-72(9,10)48(4,5)6)57-30-52-38-41(50-29-51-42(38)57)55-44(60)32-20-15-12-16-21-32)28-64-70(62,63-25-17-23-49)67-33-26-37(65-34(33)27-58)56-24-22-36(54-46(56)61)53-43(59)31-18-13-11-14-19-31/h11-16,18-22,24,29-30,33-35,37,39-40,45,58H,17,25-28H2,1-10H3,(H,50,51,55,60)(H,53,54,59,61)/t33-,34+,35+,37+,39+,40+,45+,70?/m0/s1
InChI key： NKMQIFZPZFVQGJ-DPMDDHQASA-N
SMILES： CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OCCC#N)O[C@H]2C[C@@H](O[C@@H]2CO)n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)n1cnc2c(NC(=O)c3ccccc3)ncnc12
Systematic name  (3)：
  • N-ベンゾイル-2′-O,3′-O-ビス(tert-ブチルジメチルシリル)-5′-O-[2-シアノエトキシ[(N-ベンゾイル-2′-デオキシ-3′-シチジル)オキシ]ホスフィニル]アデノシン
  • N-{1-[(2R,4S,5R)-4-[({[(2R,3R,4R,5R)-5-(6-ベンズアミド-9H-プリン-9-イル)-3,4-ビス[(tert-ブチルジメチルシリル)オキシ]オキソラン-2-イル]メトキシ}(2-シアノエトキシ)ホスホリル)オキシ]-5-(ヒドロキシメチル)オキソラン-2-イル]-2-オキソ-1,2-ジヒドロピリミジン-4-イル}ベンズアミド
  • N-{1-[(2R,4S,5R)-4-[({[(2R,3R,4R,5R)-5-(6-benzamido-9H-purin-9-yl)-3,4-bis[(tert-butyldimethylsilyl)oxy]oxolan-2-yl]methoxy}(2-cyanoethoxy)phosphoryl)oxy]-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}benzamide
Other name (1)：
  • N-Benzoyl-2′-O,3′-O-bis(tert-butyldimethylsilyl)-5′-O-[2-cyanoethoxy[(N-benzoyl-2′-deoxy-3′-cytidyl)oxy]phosphinyl]adenosine
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