Chem
J-GLOBAL ID：200907002175256051
Nikkaji number：J2.078.749J
3,3′′-(Heptane-1,7-diyl)bis[3′-O-(phenoxyacetyl)-5′-O-(4,4′-dimethoxytrityl)thymidine]
3,3′′-(ヘプタン-1,7-ジイル)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 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
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
Molecular formula： C85H88N4O18
Molecular formula furigana： C85-H88-N4-O18
Molecular weight： 1453.649
InChI：
InChI=1S/C85H88N4O18/c1-58-52-88(76-50-72(106-78(90)56-100-70-28-18-12-19-29-70)74(104-76)54-102-84(60-24-14-10-15-25-60,62-32-40-66(96-3)41-33-62)63-34-42-67(97-4)43-35-63)82(94)86(80(58)92)48-22-8-7-9-23-49-87-81(93)59(2)53-89(83(87)95)77-51-73(107-79(91)57-101-71-30-20-13-21-31-71)75(105-77)55-103-85(61-26-16-11-17-27-61,64-36-44-68(98-5)45-37-64)65-38-46-69(99-6)47-39-65/h10-21,24-47,52-53,72-77H,7-9,22-23,48-51,54-57H2,1-6H3/t72-,73-,74+,75+,76+,77+/m0/s1
InChI key：
BBWFEACMSCOYHS-VSOKJISESA-N
SMILES：
COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OC(=O)COc1ccccc1)n1cc(C)c(=O)n(CCCCCCCn2c(=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′′-(ヘプタン-1,7-ジイル)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-(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-[(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}ヘプチル)-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-(7-{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}heptyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]oxolan-3-yl 2-phenoxyacetate
- 3,3′′-(Heptane-1,7-diyl)bis[3′-O-(phenoxyacetyl)-5′-O-(4,4′-dimethoxytrityl)thymidine]
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