Chem
J-GLOBAL ID：201707002095564742   Nikkaji number：J3.542.559D

N-Benzoyl-2′-O,3′-O-bis(tert-butyldimethylsilyl)-5′-O-[2-cyanoethoxy[[N-benzoyl-2′-deoxy-5′-O-[bis(2-cyanoethoxy)phosphinyl]-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-5′-O-[ビス(2-シアノエトキシ)ホスフィニル]-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： C54H71N11O15P2Si2
Molecular formula furigana： C54-H71-N11-O15-P2-SI2
Molecular weight： 1232.342
InChI： InChI=1S/C54H71N11O15P2Si2/c1-53(2,3)83(7,8)79-45-41(77-51(46(45)80-84(9,10)54(4,5)6)65-36-60-44-47(58-35-59-48(44)65)63-50(67)38-22-15-12-16-23-38)34-75-82(70,73-31-19-27-57)78-39-32-43(76-40(39)33-74-81(69,71-29-17-25-55)72-30-18-26-56)64-28-24-42(62-52(64)68)61-49(66)37-20-13-11-14-21-37/h11-16,20-24,28,35-36,39-41,43,45-46,51H,17-19,29-34H2,1-10H3,(H,58,59,63,67)(H,61,62,66,68)/t39-,40+,41+,43+,45+,46+,51+,82?/m0/s1
InChI key： OEAIVLLTAGRKLB-VWANQMGSSA-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]2COP(=O)(OCCC#N)OCCC#N)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-5′-O-[ビス(2-シアノエトキシ)ホスフィニル]-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-({[ビス(2-シアノエトキシ)ホスホリル]オキシ}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-({[bis(2-cyanoethoxy)phosphoryl]oxy}methyl)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-5′-O-[bis(2-cyanoethoxy)phosphinyl]-3′-cytidyl]oxy]phosphinyl]adenosine
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