Chem
J-GLOBAL ID:200907058006956104   Nikkaji number:J686.366C

3′-O,5′′′-O-(Mercaptophosphinylidene)bisthymidine

チオりん酸3′-チミジル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: C20H27N4O11PS
Molecular formula furigana: C20-H27-N4-O11-P-S
Molecular weight: 562.490
InChI: InChI=1S/C20H27N4O11PS/c1-9-5-23(19(29)21-17(9)27)15-3-11(26)14(34-15)8-32-36(31,37)35-12-4-16(33-13(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,31,37)(H,21,27,29)(H,22,28,30)/t11-,12-,13+,14+,15+,16+,36?/m0/s1
InChI key: BAYJGGZTPVYYDX-GOBUZWBYSA-N
SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(S)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  (18):
  • チオりん酸O-(3′-チミジル)O-(5′-チミジル)
  • チミジン5′-[チオりん酸O-(3′-チミジル)]
  • チミジン3′-[チオりん酸O-(5′-チミジル)]
  • 3′-O-[ヒドロキシ(5′-チミジルオキシ)チオホスフィニル]チミジン
  • チミジン3′-(チオりん酸O-5′-チミジル)
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Other name (16):
  • Thymidine 3′-[thiophosphoric acid O-(5′-thymidyl)] ester
  • Thymidine 5′-[thiophosphoric acid O-(3′-thymidyl)] ester
  • Thiophosphoric acid O-(3′-thymidyl)O-(5′-thymidyl) ester
  • 3′-O-[Hydroxy(5′-thymidyloxy)thiophophinyl]thymidine
  • Thymidine 3′-(thiophosphoric acid O-5′-thymidyl) ester
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