Chem
J-GLOBAL ID:200907034807571860   Nikkaji number:J1.925.154C

5′-O-(4,4′-Dimethoxytrityl)thymidine 3′-phosphoric acid 2-cyanoethyl 3′-O-(tert-butyldimethylsilyl)-2′-deoxy-5′-cytidyl ester

5′-O-(4,4′-ジメトキシトリチル)チミジン3′-りん酸2-シアノエチル3′-O-(tert-ブチルジメチルシリル)-2′-デオキシ-5′-シチジル
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: C49H61N6O13PSi
Molecular formula furigana: C49-H61-N6-O13-P-SI
Molecular weight: 1001.115
InChI: InChI=1S/C49H61N6O13PSi/c1-32-29-55(47(58)53-45(32)56)44-27-38(40(65-44)30-62-49(33-13-10-9-11-14-33,34-15-19-36(60-5)20-16-34)35-17-21-37(61-6)22-18-35)67-69(59,63-26-12-24-50)64-31-41-39(68-70(7,8)48(2,3)4)28-43(66-41)54-25-23-42(51)52-46(54)57/h9-11,13-23,25,29,38-41,43-44H,12,26-28,30-31H2,1-8H3,(H2,51,52,57)(H,53,56,58)/t38-,39-,40+,41+,43+,44+,69?/m0/s1
InChI key: CBQCMTPDDWGRHG-LQFSNAJHSA-N
SMILES: COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(=O)(OCCC#N)OC[C@H]1O[C@H](C[C@@H]1O[Si](C)(C)C(C)(C)C)n1ccc(N)nc1=O)n1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (4):
  • 3′-O-[[3′-O-(tert-ブチルジメチルシリル)-2′-デオキシシチジン-5′-O-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
  • 5′-O-(4,4′-ジメトキシトリチル)チミジン3′-りん酸2-シアノエチル3′-O-(tert-ブチルジメチルシリル)-2′-デオキシ-5′-シチジル
  • 3-[({[(2R,3S,5R)-5-(4-アミノ-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-3-[(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}({[(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})ホスホリル)オキシ]プロパンニトリル
  • 3-[({[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-[(tert-butyldimethylsilyl)oxy]oxolan-2-yl]methoxy}({[(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})phosphoryl)oxy]propanenitrile
Other name (2):
  • 3′-O-[[3′-O-(tert-Butyldimethylsilyl)-2′-deoxycytidine-5′-O-yl](2-cyanoethoxy)phosphinyl]-5′-O-(4,4′-dimethoxytrityl)thymidine
  • 5′-O-(4,4′-Dimethoxytrityl)thymidine 3′-phosphoric acid 2-cyanoethyl 3′-O-(tert-butyldimethylsilyl)-2′-deoxy-5′-cytidyl ester
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