Chem
J-GLOBAL ID：200907008035342533   Nikkaji number：J1.371.132A

3′-O-(5′-Thymidylyl)-2′-deoxycytidine

2′-デオキシ-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： C19H26N5O11P
Molecular formula furigana： C19-H26-N5-O11-P
Molecular weight： 531.415
InChI： InChI=1S/C19H26N5O11P/c1-9-6-24(19(29)22-17(9)27)15-4-10(26)13(34-15)8-32-36(30,31)35-11-5-16(33-12(11)7-25)23-3-2-14(20)21-18(23)28/h2-3,6,10-13,15-16,25-26H,4-5,7-8H2,1H3,(H,30,31)(H2,20,21,28)(H,22,27,29)/t10-,11-,12+,13+,15+,16+/m0/s1
InChI key： OUJLZFGNZMPALU-SWTKMSQOSA-N
SMILES： Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3CO)n3ccc(N)nc3=O)O2)c(=O)[nH]c1=O
Systematic name  (5)：
  • 3′-O-(5′-チミジリル)-2′-デオキシシチジン
  • 5′-O-(2′-デオキシ-3′-シチジリル)チミジン
  • 2′-デオキシ-3′-シチジル酸5′-チミジル
  • {[(2R,3S,5R)-5-(4-アミノ-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-2-(ヒドロキシメチル)オキソラン-3-イル]オキシ}({[(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,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-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 (3)：
  • 3′-O-(5′-Thymidylyl)-2′-deoxycytidine
  • 5′-O-(2′-Deoxy-3′-cytidylyl)thymidine
  • 2′-Deoxy-3′-cytidylic acid 5′-thymidyl ester
Thsaurus map：
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