Chem
J-GLOBAL ID:200907050882805465   Nikkaji number:J1.737.980A

3′-[[[[3′-O-(tert-Butyldimethylsilyl)-5′-thymidyl]oxy]sulfonyl]amino]-5′-O-(4,4′-dimethoxytrityl)-2′-fluoro-2′,3′-dideoxyuridine

3′-[[[[3′-O-(tert-ブチルジメチルシリル)-5′-チミジル]オキシ]スルホニル]アミノ]-5′-O-(4,4′-ジメトキシトリチル)-2′-フルオロ-2′,3′-ジデオキシウリジン
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: C46H56FN5O13SSi
Molecular formula furigana: C46-H56-F-N5-O13-S-SI
Molecular weight: 966.120
InChI: InChI=1S/C46H56FN5O13SSi/c1-28-25-52(44(56)49-41(28)54)38-24-34(65-67(7,8)45(2,3)4)35(63-38)27-62-66(57,58)50-40-36(64-42(39(40)47)51-23-22-37(53)48-43(51)55)26-61-46(29-12-10-9-11-13-29,30-14-18-32(59-5)19-15-30)31-16-20-33(60-6)21-17-31/h9-23,25,34-36,38-40,42,50H,24,26-27H2,1-8H3,(H,48,53,55)(H,49,54,56)/t34-,35+,36+,38+,39+,40+,42+/m0/s1
InChI key: LAASFAGHKXSURV-RKFHPWOXSA-N
SMILES: COc1ccc(cc1)C(OC[C@H]1O[C@H]([C@H](F)[C@@H]1NS(=O)(=O)OC[C@H]1O[C@H](C[C@@H]1O[Si](C)(C)C(C)(C)C)n1cc(C)c(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3):
  • 3′-[[[[3′-O-(tert-ブチルジメチルシリル)-5′-チミジル]オキシ]スルホニル]アミノ]-5′-O-(4,4′-ジメトキシトリチル)-2′-フルオロ-2′,3′-ジデオキシウリジン
  • [(2R,3S,5R)-3-[(tert-ブチルジメチルシリル)オキシ]-5-(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-2-イル]メチル N-[(2S,3R,4R,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-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-4-フルオロオキソラン-3-イル]スルファマート
  • [(2R,3S,5R)-3-[(tert-butyldimethylsilyl)oxy]-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl N-[(2S,3R,4R,5R)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-fluorooxolan-3-yl]sulfamate
Other name (1):
  • 3′-[[[[3′-O-(tert-Butyldimethylsilyl)-5′-thymidyl]oxy]sulfonyl]amino]-5′-O-(4,4′-dimethoxytrityl)-2′-fluoro-2′,3′-dideoxyuridine
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