Chem
J-GLOBAL ID：200907026058490341   Nikkaji number：J2.756.517D

3-(Hydroxymethyl)-3′-O-[[(1α,5α,8R)-7β-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-yl)-8-(tert-butyldiphenylsiloxy)-2,6-dioxa-3-azabicyclo[3.2.1]octane-3-yl]carbonyl]-5′-O-(4,4′-dimethoxytrityl)thymidine

3-(ヒドロキシメチル)-3′-O-[[(1α,5α,8R)-7β-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-8-(tert-ブチルジフェニルシロキシ)-2,6-ジオキサ-3-アザビシクロ[3.2.1]オクタン-3-イル]カルボニル]-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： C58H61N5O14Si
Molecular formula furigana： C58-H61-N5-O14-SI
Molecular weight： 1080.232
InChI： InChI=1S/C58H61N5O14Si/c1-37-33-61(55(68)62(36-64)52(37)66)49-32-45(47(73-49)35-72-58(38-16-10-7-11-17-38,39-22-26-41(70-5)27-23-39)40-24-28-42(71-6)29-25-40)75-56(69)63-34-46-50(51(76-63)53(74-46)60-31-30-48(65)59-54(60)67)77-78(57(2,3)4,43-18-12-8-13-19-43)44-20-14-9-15-21-44/h7-31,33,45-47,49-51,53,64H,32,34-36H2,1-6H3,(H,59,65,67)/t45-,46+,47?,49+,50+,51-,53+/m0/s1
InChI key： LKSLGUYOIWZCSR-PTJPGQAFSA-N
SMILES： COc1ccc(cc1)C(OCC1O[C@H](C[C@@H]1OC(=O)N1C[C@H]2O[C@H]([C@@H](O1)[C@@H]2O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)n1ccc(=O)[nH]c1=O)n1cc(C)c(=O)n(CO)c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 3-(ヒドロキシメチル)-3′-O-[[(1α,5α,8R)-7β-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-8-(tert-ブチルジフェニルシロキシ)-2,6-ジオキサ-3-アザビシクロ[3.2.1]オクタン-3-イル]カルボニル]-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-(ヒドロキシメチル)-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 (1S,5R,7R,8R)-8-[(tert-ブチルジフェニルシリル)オキシ]-7-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-2,6-ジオキサ-3-アザビシクロ[3.2.1]オクタン-3-カルボキシラート
  • (2R,3S,5R)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-[3-(hydroxymethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]oxolan-3-yl (1S,5R,7R,8R)-8-[(tert-butyldiphenylsilyl)oxy]-7-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate
Other name (1)：
  • 3-(Hydroxymethyl)-3′-O-[[(1α,5α,8R)-7β-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-yl)-8-(tert-butyldiphenylsiloxy)-2,6-dioxa-3-azabicyclo[3.2.1]octane-3-yl]carbonyl]-5′-O-(4,4′-dimethoxytrityl)thymidine
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