Chem
J-GLOBAL ID：200907010135289464   Nikkaji number：J2.756.516F

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]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]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： C37H43N5O12Si
Molecular formula furigana： C37-H43-N5-O12-SI
Molecular weight： 777.859
InChI： InChI=1S/C37H43N5O12Si/c1-22-18-40(35(48)41(21-44)32(22)46)29-17-25(27(20-43)50-29)52-36(49)42-19-26-30(31(53-42)33(51-26)39-16-15-28(45)38-34(39)47)54-55(37(2,3)4,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,18,25-27,29-31,33,43-44H,17,19-21H2,1-4H3,(H,38,45,47)/t25-,26+,27+,29+,30+,31-,33+/m0/s1
InChI key： XBRGMRDDXDPRSD-VRBAOAEMSA-N
SMILES： Cc1cn([C@H]2C[C@H](OC(=O)N3C[C@H]4O[C@H]([C@@H](O3)[C@@H]4O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)n3ccc(=O)[nH]c3=O)[C@@H](CO)O2)c(=O)n(CO)c1=O
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]チミジン
  • (2R,3S,5R)-2-(ヒドロキシメチル)-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-(hydroxymethyl)-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]thymidine
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