6-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Ribofuranosyl]Imidazo[1,2-C]Pyrimidin-5(6H)-One

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Properties Simple | Detailed

Formula C11H19N3O14P3
IUPAC Name [[(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-oxo-7,8-dihydro-3h-imidazo[1,2-c]pyrimidin-1-ium-3,7,8-triid-6-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 510.202 g·mol−1
Heat of Formation -3250.5 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 474.48 Å 3
Surface Area 404.06 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-ketoimidazo[1,2-c]pyrimidin-6-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-oxo-6-imidazo[1,2-c]pyrimidinyl)-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-oxoimidazo[1,2-c]pyrimidin-6-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-oxoimidazo[1,2-c]pyrimidin-6-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-oxoimidazo[1,2-c]pyrimidin-6-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • ethenocytidine triphosphate
  • imidazo(1,2-c)pyrimidin-5(6h)-one, 6-(5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-ribofuranosyl)-
CAS Number(s)
  • 56405-86-8
InChIKey HJTKVCQXCJYNNR-PEBGCTIMSA-N
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