Chem
J-GLOBAL ID：200907072126001020   Nikkaji number：J2.078.751A

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

3,3′′-エチレンビス[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： C64H66N4O14
Molecular formula furigana： C64-H66-N4-O14
Molecular weight： 1115.246
InChI： InChI=1S/C64H66N4O14/c1-41-37-67(57-35-53(69)55(81-57)39-79-63(43-13-9-7-10-14-43,45-17-25-49(75-3)26-18-45)46-19-27-50(76-4)28-20-46)61(73)65(59(41)71)33-34-66-60(72)42(2)38-68(62(66)74)58-36-54(70)56(82-58)40-80-64(44-15-11-8-12-16-44,47-21-29-51(77-5)30-22-47)48-23-31-52(78-6)32-24-48/h7-32,37-38,53-58,69-70H,33-36,39-40H2,1-6H3/t53-,54-,55+,56+,57+,58+/m0/s1
InChI key： ZPPJNIUAAHOZLO-UCNQPGOHSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)n(CCn2c(=O)c(C)cn([C@H]3C[C@H](O)[C@@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)O3)c2=O)c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 3,3′′-エチレンビス[5′-O-(4,4′-ジメトキシトリチル)チミジン]
  • 1-[(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-ヒドロキシオキソラン-2-イル]-3-(2-{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-ヒドロキシオキソラン-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}エチル)-5-メチル-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 1-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-hydroxyoxolan-2-yl]-3-(2-{3-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-hydroxyoxolan-2-yl]-5-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}ethyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 3,3′′-Ethylenebis[5′-O-(4,4′-dimethoxytrityl)thymidine]
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