Chem
J-GLOBAL ID：200907021958424431   Nikkaji number：J686.365E

3'-O-(5'-Thymidylyl)thymidine

3′-O-(5′-チミジリル)チミジン
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： C20H27N4O12P
Molecular formula furigana： C20-H27-N4-O12-P
Molecular weight： 546.426
InChI： InChI=1S/C20H27N4O12P/c1-9-5-23(19(29)21-17(9)27)15-3-11(26)14(35-15)8-33-37(31,32)36-12-4-16(34-13(12)7-25)24-6-10(2)18(28)22-20(24)30/h5-6,11-16,25-26H,3-4,7-8H2,1-2H3,(H,31,32)(H,21,27,29)(H,22,28,30)/t11-,12-,13+,14+,15+,16+/m0/s1
InChI key： FCXGCSBZKOHCLB-KPRKPIBOSA-N
SMILES： Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O
Systematic name  (14)：
  • 3′-O-(5′-チミジリル)チミジン
  • りん酸O-(3′-チミジル)O-(5′-チミジル)
  • 3′-チミジル酸5′-チミジル
  • 5′-O-(3′-チミジリル)チミジン
  • 5′-チミジル酸3′-チミジル
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Other name (18)：
  • 3′-Thymidylic acid 5′-thymidyl ester
  • Phosphoric acid O-(3′-thymidyl)O-(5′-thymidyl) ester
  • 5′-O-(3′-Thymidylyl)thymidine
  • dTpT
  • チミジリル(3′→5′)チミジン
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