Chem
J-GLOBAL ID:200907070186897186   Nikkaji number:J2.629.765F

5′-Thymidylic acid 5′-O-(2′-O-(tert-butyldimethylsilyl)-3′-uridylyl)-2′-O-(tert-butyldimethylsilyl)-3′-adenosyl ester

5′-チミジル酸5′-O-(2′-O-(tert-ブチルジメチルシリル)-3′-ウリジリル)-2′-O-(tert-ブチルジメチルシリル)-3′-アデノシル
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: C41H65N9O19P2Si2
Molecular formula furigana: C41-H65-N9-O19-P2-SI2
Molecular weight: 1106.133
InChI: InChI=1S/C41H65N9O19P2Si2/c1-21-15-49(39(56)47-35(21)54)27-14-22(52)24(63-27)17-61-70(57,58)67-30-25(65-37(32(30)69-73(10,11)41(5,6)7)50-20-45-28-33(42)43-19-44-34(28)50)18-62-71(59,60)66-29-23(16-51)64-36(48-13-12-26(53)46-38(48)55)31(29)68-72(8,9)40(2,3)4/h12-13,15,19-20,22-25,27,29-32,36-37,51-52H,14,16-18H2,1-11H3,(H,57,58)(H,59,60)(H2,42,43,44)(H,46,53,55)(H,47,54,56)/t22-,23+,24+,25+,27+,29+,30+,31+,32+,36+,37+/m0/s1
InChI key: KANBDCGTWVKXIB-DEICUEAXSA-N
SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[C@@H]3[C@@H](COP(=O)(O)O[C@@H]4[C@@H](CO)O[C@H]([C@@H]4O[Si](C)(C)C(C)(C)C)n4ccc(=O)[nH]c4=O)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):
  • 5′-チミジル酸5′-O-(2′-O-(tert-ブチルジメチルシリル)-3′-ウリジリル)-2′-O-(tert-ブチルジメチルシリル)-3′-アデノシル
  • {[(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-{[({[(2R,3R,4R,5R)-4-[(tert-ブチルジメチルシリル)オキシ]-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)-2-(ヒドロキシメチル)オキソラン-3-イル]オキシ}(ヒドロキシ)ホスホリル)オキシ]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-{[({[(2R,3R,4R,5R)-4-[(tert-butyldimethylsilyl)oxy]-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}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):
  • 5′-Thymidylic acid 5′-O-(2′-O-(tert-butyldimethylsilyl)-3′-uridylyl)-2′-O-(tert-butyldimethylsilyl)-3′-adenosyl ester
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