Thymidine 3',5'-Bis(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H16N2O11P2
IUPAC Name [(2r,3s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 402.188 g·mol−1
Heat of Formation -2605.2 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 393.99 Å 3
Surface Area 335.98 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-thymidylic acid, 5'-(dihydrogen phosphate)
  • [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-(phosphonooxymethyl)-3-tetrahydrofuranyl] dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
  • deoxythymidine 3',5'-bisphosphate
  • pdtp
  • thp
  • thymidine 3',5'-biphosphate
  • thymidine 3',5'-diphosphate
  • thymidine-3',5'-diphosphate
CAS Number(s)
  • 2863-04-9
InChIKey CSNCBOPUCJOHLS-XLPZGREQSA-N
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