Chem
J-GLOBAL ID：200907016454906385   Nikkaji number：J2.078.748A

3,3′′-Tetramethylenebis[3′-O-(phenoxyacetyl)-5′-O-(4,4′-dimethoxytrityl)thymidine]

3,3′′-テトラメチレンビス[3′-O-(フェノキシアセチル)-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： C82H82N4O18
Molecular formula furigana： C82-H82-N4-O18
Molecular weight： 1411.568
InChI： InChI=1S/C82H82N4O18/c1-55-49-85(73-47-69(103-75(87)53-97-67-25-15-9-16-26-67)71(101-73)51-99-81(57-21-11-7-12-22-57,59-29-37-63(93-3)38-30-59)60-31-39-64(94-4)40-32-60)79(91)83(77(55)89)45-19-20-46-84-78(90)56(2)50-86(80(84)92)74-48-70(104-76(88)54-98-68-27-17-10-18-28-68)72(102-74)52-100-82(58-23-13-8-14-24-58,61-33-41-65(95-5)42-34-61)62-35-43-66(96-6)44-36-62/h7-18,21-44,49-50,69-74H,19-20,45-48,51-54H2,1-6H3/t69-,70-,71+,72+,73+,74+/m0/s1
InChI key： VBBYUDYQXQSSPX-XVDKJQSNSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OC(=O)COc1ccccc1)n1cc(C)c(=O)n(CCCCn2c(=O)c(C)cn([C@H]3C[C@H](OC(=O)COc4ccccc4)[C@@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)O3)c2=O)c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 3,3′′-テトラメチレンビス[3′-O-(フェノキシアセチル)-5′-O-(4,4′-ジメトキシトリチル)チミジン]
  • (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-[3-(4-{3-[(2R,4S,5R)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-4-[(2-フェノキシアセチル)オキシ]オキソラン-2-イル]-5-メチル-2,6-ジオキソ-1,2,3,6-テトラヒドロピリミジン-1-イル}ブチル)-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 2-フェノキシアセタート
  • (2R,3S,5R)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-[3-(4-{3-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-[(2-phenoxyacetyl)oxy]oxolan-2-yl]-5-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}butyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]oxolan-3-yl 2-phenoxyacetate
Other name (1)：
  • 3,3′′-Tetramethylenebis[3′-O-(phenoxyacetyl)-5′-O-(4,4′-dimethoxytrityl)thymidine]
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