Chem
J-GLOBAL ID:200907067275658941   Nikkaji number:J1.925.158F

3′-O-[[3′-O,5′-O-Bis(tert-butyldimethylsilyl)-2′-deoxycytidine-N-yl](2-cyanoethoxy)phosphinyl]-5′-O-(4,4′-dimethoxytrityl)thymidine

3′-O-[[3′-O,5′-O-ビス(tert-ブチルジメチルシリル)-2′-デオキシシチジン-N-イル](2-シアノエトキシ)ホスフィニル]-5′-O-(4,4′-ジメトキシトリチル)チミジン
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: C55H75N6O13PSi2
Molecular formula furigana: C55-H75-N6-O13-P-SI2
Molecular weight: 1115.378
InChI: InChI=1S/C55H75N6O13PSi2/c1-37-34-61(52(64)58-50(37)62)49-32-43(45(71-49)35-68-55(38-18-15-14-16-19-38,39-20-24-41(66-8)25-21-39)40-22-26-42(67-9)27-23-40)73-75(65,69-31-17-29-56)59-47-28-30-60(51(63)57-47)48-33-44(74-77(12,13)54(5,6)7)46(72-48)36-70-76(10,11)53(2,3)4/h14-16,18-28,30,34,43-46,48-49H,17,31-33,35-36H2,1-13H3,(H,58,62,64)(H,57,59,63,65)/t43-,44-,45+,46+,48+,49+,75?/m0/s1
InChI key: MJJZRMIROXOYIG-NLOUAAAASA-N
SMILES: COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(=O)(Nc1ccn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n1)OCCC#N)n1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3):
  • 3′-O-[[3′-O,5′-O-ビス(tert-ブチルジメチルシリル)-2′-デオキシシチジン-N-イル](2-シアノエトキシ)ホスフィニル]-5′-O-(4,4′-ジメトキシトリチル)チミジン
  • 3-[({[(2R,3S,5R)-2-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-5-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)オキソラン-3-イル]オキシ}({1-[(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]-2-オキソ-1,2-ジヒドロピリミジン-4-イル}アミノ)ホスホリル)オキシ]プロパンニトリル
  • 3-[({[(2R,3S,5R)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]oxy}({1-[(2R,4S,5R)-4-[(tert-butyldimethylsilyl)oxy]-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}amino)phosphoryl)oxy]propanenitrile
Other name (1):
  • 3′-O-[[3′-O,5′-O-Bis(tert-butyldimethylsilyl)-2′-deoxycytidine-N-yl](2-cyanoethoxy)phosphinyl]-5′-O-(4,4′-dimethoxytrityl)thymidine
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