2'-Deoxy-5-Hexyluridine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C13H22N2O14P3
IUPAC Name [[[(2r,3s,5r)-5-(5-butyl-2,4-dioxo-pyrimidin-3-ium-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
Molecular Mass 523.240 g·mol−1
Heat of Formation -3594.5 ± 16.7 kJ·mol−1
Dipole Moment 6.23 ± 1.08 D
Volume 564.64 Å 3
Surface Area 488.25 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • 5-hxdutp
  • 5-n-hexyl-2'-deoxyuridine triphosphate
  • [(2r,3s,5r)-5-(5-hexyl-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(5-hexyl-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(5-hexyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(5-hexyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(5-hexyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-hexyl-
CAS Number(s)
  • 64374-81-8
InChIKey QMJGOUUUYOWMJP-YNEHKIRRSA-N
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