(5S)-1-[2-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-α-D-Erythro-Pentofuranosyl]-5-Methyldihydro-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C10H19N2O14P3
IUPAC Name [hydroxy-[[(2r,3s,5s)-3-hydroxy-5-[(5s)-5-methyl-2,4-dioxo-hexahydropyrimidin-1-yl]tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular Mass 484.184 g·mol−1
Heat of Formation -3580.4 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 465.02 Å 3
Surface Area 367.05 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • 5,6-dihydrothymidine 5'-triphosphate
  • [(2r,3s,5s)-3-hydroxy-5-[(5s)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5s)-3-hydroxy-5-[(5s)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5s)-3-hydroxy-5-[(5s)-5-methyl-2,4-dioxo-1-hexahydropyrimidinyl]-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5s)-3-hydroxy-5-[(5s)-5-methyl-2,4-dioxo-hexahydropyrimidin-1-yl]tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5s)-5-[(5s)-2,4-diketo-5-methyl-hexahydropyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • dhdttp
CAS Number(s)
  • 106094-51-3
InChIKey ITMRZQUODDZEEY-HSNKUXOKSA-N
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