Chem
J-GLOBAL ID：200907006919695763   Nikkaji number：J2.629.759A

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

2′-O-(tert-ブチルジメチルシリル)-3′-シチジル酸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： C25H40N5O12PSi
Molecular formula furigana： C25-H40-N5-O12-P-SI
Molecular weight： 661.677
InChI： InChI=1S/C25H40N5O12PSi/c1-13-10-30(24(35)28-21(13)33)18-9-14(32)16(39-18)12-38-43(36,37)41-19-15(11-31)40-22(29-8-7-17(26)27-23(29)34)20(19)42-44(5,6)25(2,3)4/h7-8,10,14-16,18-20,22,31-32H,9,11-12H2,1-6H3,(H,36,37)(H2,26,27,34)(H,28,33,35)/t14-,15+,16+,18+,19+,20+,22+/m0/s1
InChI key： VBOJXEGPBJATRU-WBJPGCDSSA-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)n3ccc(N)nc3=O)O2)c(=O)[nH]c1=O
Systematic name  (3)：
  • 2′-O-(tert-ブチルジメチルシリル)-3′-シチジル酸5′-チミジル
  • {[(2R,3R,4R,5R)-5-(4-アミノ-2-オキソ-1,2-ジヒドロピリミジン-1-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-(4-amino-2-oxo-1,2-dihydropyrimidin-1-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′-cytidylic acid 5′-thymidyl ester
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