Chem
J-GLOBAL ID：200907049026774100   Nikkaji number：J1.833.651K

Thymidine 3′,5′-bisphosphoric acid

チミジン3′,5′-ビスりん酸
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： C10H16N2O11P2
Molecular formula furigana： C10-H16-N2-O11-P2
Molecular weight： 402.189
InChI： InChI=1S/C10H16N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
InChI key： CSNCBOPUCJOHLS-XLPZGREQSA-N
SMILES： Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O
Systematic name  (3)：
  • チミジン3′,5′-ビスりん酸
  • {[(2R,3S,5R)-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)-2-[(ホスホノオキシ)メチル]オキソラン-3-イル]オキシ}ホスホン酸
  • {[(2R,3S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy}phosphonic acid
Other name (1)：
  • Thymidine 3′,5′-bisphosphoric acid
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