Chem
J-GLOBAL ID：200907068469942680   Nikkaji number：J2.756.513A

3-(Benzyloxymethyl)-3′-O-[[(1α,5α,8R)-7β-[2,4-dioxo-3-(benzyloxymethyl)-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-(ベンジルオキシメチル)-3′-O-[[(1α,5α,8R)-7β-[2,4-ジオキソ-3-(ベンジルオキシメチル)-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： C73H75N5O15Si
Molecular formula furigana： C73-H75-N5-O15-SI
Molecular weight： 1290.508
InChI： InChI=1S/C73H75N5O15Si/c1-50-43-75(70(82)77(67(50)80)49-87-46-52-24-14-8-15-25-52)64-42-60(62(89-64)47-88-73(53-26-16-9-17-27-53,54-32-36-56(84-5)37-33-54)55-34-38-57(85-6)39-35-55)91-71(83)78-44-61-65(93-94(72(2,3)4,58-28-18-10-19-29-58)59-30-20-11-21-31-59)66(92-78)68(90-61)74-41-40-63(79)76(69(74)81)48-86-45-51-22-12-7-13-23-51/h7-41,43,60-62,64-66,68H,42,44-49H2,1-6H3/t60-,61+,62+,64+,65+,66-,68+/m0/s1
InChI key： YIAAYYWERZCAJH-WFYTWOIXSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[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)n(COCc2ccccc2)c1=O)n1cc(C)c(=O)n(COCc2ccccc2)c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 3-(ベンジルオキシメチル)-3′-O-[[(1α,5α,8R)-7β-[2,4-ジオキソ-3-(ベンジルオキシメチル)-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)-5-{3-[(ベンジルオキシ)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}-2-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}オキソラン-3-イル (1S,5R,7R,8R)-7-{3-[(ベンジルオキシ)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}-8-[(tert-ブチルジフェニルシリル)オキシ]-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)-5-{3-[(benzyloxy)methyl]-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}oxolan-3-yl (1S,5R,7R,8R)-7-{3-[(benzyloxy)methyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}-8-[(tert-butyldiphenylsilyl)oxy]-2,6-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate
Other name (1)：
  • 3-(Benzyloxymethyl)-3′-O-[[(1α,5α,8R)-7β-[2,4-dioxo-3-(benzyloxymethyl)-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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