Chem
J-GLOBAL ID：200907087318587483   Nikkaji number：J2.078.753H

3,3′′-(Heptane-1,7-diyl)bis[5′-O-(4,4′-dimethoxytrityl)thymidine]

3,3′′-(ヘプタン-1,7-ジイル)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： C69H76N4O14
Molecular formula furigana： C69-H76-N4-O14
Molecular weight： 1185.381
InChI： InChI=1S/C69H76N4O14/c1-46-42-72(62-40-58(74)60(86-62)44-84-68(48-18-12-10-13-19-48,50-22-30-54(80-3)31-23-50)51-24-32-55(81-4)33-25-51)66(78)70(64(46)76)38-16-8-7-9-17-39-71-65(77)47(2)43-73(67(71)79)63-41-59(75)61(87-63)45-85-69(49-20-14-11-15-21-49,52-26-34-56(82-5)35-27-52)53-28-36-57(83-6)37-29-53/h10-15,18-37,42-43,58-63,74-75H,7-9,16-17,38-41,44-45H2,1-6H3/t58-,59-,60+,61+,62+,63+/m0/s1
InChI key： ODCFONJIHYTYCS-GPZNNVHOSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)n(CCCCCCCn2c(=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′′-(ヘプタン-1,7-ジイル)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-(7-{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}ヘプチル)-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-(7-{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}heptyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 3,3′′-(Heptane-1,7-diyl)bis[5′-O-(4,4′-dimethoxytrityl)thymidine]
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