Chem
J-GLOBAL ID:200907066624815115
Nikkaji number:J2.078.743K
3-[7-(Phenoxyacetyl)heptyl]-3′-O-(tert-butyldimethylsilyl)-5′-O-(4,4′-dimethoxytrityl)thymidine
3-[7-(フェノキシアセチル)ヘプチル]-3′-O-(tert-ブチルジメチルシリル)-5′-O-(4,4′-ジメトキシトリチル)チミジン
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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:
C52 H66 N2 O9 Si
Molecular formula furigana:
C52-H66-N2-O9-SI
Molecular weight:
891.190
InChI:
InChI=1S/C52H66N2O9Si/c1-38-35-54(50(57)53(49(38)56)33-19-11-9-10-16-22-42(55)36-60-45-23-17-13-18-24-45)48-34-46(63-64(7,8)51(2,3)4)47(62-48)37-61-52(39-20-14-12-15-21-39,40-25-29-43(58-5)30-26-40)41-27-31-44(59-6)32-28-41/h12-15,17-18,20-21,23-32,35,46-48H,9-11,16,19,22,33-34,36-37H2,1-8H3/t46-,47+,48+/m0/s1
InChI key:
COGIWIAACNPTEG-OFHDNNAJSA-N
SMILES:
COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1O[Si](C)(C)C(C)(C)C)n1cc(C)c(=O)n(CCCCCCCC(=O)COc2ccccc2)c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name (3):
3-[7-(フェノキシアセチル)ヘプチル]-3′-O-(tert-ブチルジメチルシリル)-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-[(tert-ブチルジメチルシリル)オキシ]オキソラン-2-イル]-5-メチル-3-(8-オキソ-9-フェノキシノニル)-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-[(tert-butyldimethylsilyl)oxy]oxolan-2-yl]-5-methyl-3-(8-oxo-9-phenoxynonyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1):
3-[7-(Phenoxyacetyl)heptyl]-3′-O-(tert-butyldimethylsilyl)-5′-O-(4,4′-dimethoxytrityl)thymidine
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