Chem
J-GLOBAL ID：200907049394581185   Nikkaji number：J2.629.757E

2′-O-(tert-Butyldimethylsilyl)-3′-adenylic acid 5′-thymidyl ester

2′-O-(tert-ブチルジメチルシリル)-3′-アデニル酸5′-チミジル
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： C26H40N7O11PSi
Molecular formula furigana： C26-H40-N7-O11-P-SI
Molecular weight： 685.703
InChI： InChI=1S/C26H40N7O11PSi/c1-13-8-32(25(37)31-23(13)36)17-7-14(35)16(41-17)10-40-45(38,39)43-19-15(9-34)42-24(20(19)44-46(5,6)26(2,3)4)33-12-30-18-21(27)28-11-29-22(18)33/h8,11-12,14-17,19-20,24,34-35H,7,9-10H2,1-6H3,(H,38,39)(H2,27,28,29)(H,31,36,37)/t14-,15+,16+,17+,19+,20+,24+/m0/s1
InChI key： RWBAWZXYRJXPAT-OFOWZRQFSA-N
SMILES： Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[C@@H]3[C@@H](CO)O[C@H]([C@@H]3O[Si](C)(C)C(C)(C)C)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O
Systematic name  (3)：
  • 2′-O-(tert-ブチルジメチルシリル)-3′-アデニル酸5′-チミジル
  • {[(2R,3R,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-4-[(tert-ブチルジメチルシリル)オキシ]-2-(ヒドロキシメチル)オキソラン-3-イル]オキシ}({[(2R,3S,5R)-3-ヒドロキシ-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]メトキシ})ホスフィン酸
  • {[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-[(tert-butyldimethylsilyl)oxy]-2-(hydroxymethyl)oxolan-3-yl]oxy}({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid
Other name (1)：
  • 2′-O-(tert-Butyldimethylsilyl)-3′-adenylic acid 5′-thymidyl ester
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