5'-O-{Hydroxy[(4-Methyl-2-Oxo-2H-Chromen-7-Yl)Oxy]Phosphoryl}Thymidine

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Properties Simple | Detailed

Formula C20H21N2O10P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (4-methyl-2-oxo-chromen-7-yl) hydrogen phosphate
Molecular Mass 480.362 g·mol−1
Heat of Formation -1912.3 ± 16.7 kJ·mol−1
Dipole Moment 9.40 ± 1.08 D
Volume 514.06 Å 3
Surface Area 412.41 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-thymidylic acid, mono(4-methyl-2-oxo-2h-1-benzopyran-7-yl) ester
  • 4-methylumbelliferyl 3-thymidylate
  • 4-methylumbelliferyl thymidine 3'-phosphate
  • 4-methylumbelliferyl thymidine 5'-phosphate
  • 4-mut-5-p
  • 4mupt
  • 5'-thymidylic acid, mono(4-methyl-2-oxo-2h-1-benzopyran-7-yl) ester
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl (4-methyl-2-oxo-7-chromenyl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl (4-methyl-2-oxo-chromen-7-yl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (4-methyl-2-oxo-chromen-7-yl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-methyl-2-oxochromen-7-yl) hydrogen phosphate
  • [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (2-keto-4-methyl-chromen-7-yl) hydrogen phosphate
  • ammonium 4-methylumbelliferyl 5'-thymidylate
  • tum-3-p
CAS Number(s)
  • 80180-69-4
  • 80180-70-7
InChIKey GOWFYSOFDDXKLK-USXIJHARSA-N
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