[(2S,5R)-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-2,5-Dihydro-2-Furanyl]Methyl Trihydrogen Diphosphate

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Formula C10H14N2O10P2
IUPAC Name [(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 384.173 g·mol−1
Heat of Formation -2303.4 ± 16.7 kJ·mol−1
Dipole Moment 7.48 ± 1.08 D
Volume 374.51 Å 3
Surface Area 334.98 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2',3'-dehydro-2',3'-deoxy-thymidine 5'-diphosphate
  • [(2s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2s,5r)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2,5-dihydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • d4d
  • d4t-dp
  • dihydrogen {[5-(5-methyl-2,4-dioxo(1,3-dihydropyrimidinyl))(2-2,5-dihydrofuryl)]methoxy}(hydroxyphosphoryl) phosphate
InChIKey LXCAIISEDMYORY-JGVFFNPUSA-N
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