1-[2-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Erythro-Pentofuranosyl]-1H-Imidazo[2,1-B]Purin-4(5H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C12H16N5O13P3
IUPAC Name [[[(2r,3s,5r)-3-hydroxy-5-(4-oxo-7,8-dihydroimidazo[2,1-b]purine-3,5-diium-7,8-diylium-9a-id-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
Molecular Mass 531.202 g·mol−1
Heat of Formation -2940.8 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 500.75 Å 3
Surface Area 401.66 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.72 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-imidazo(2,1-b)purin-4-one, 1-(2-deoxy-5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-erythro-pentofuranosyl)-1,5-dihydro-
  • [(2r,3s,5r)-3-hydroxy-5-(4-keto-5h-imidazo[2,1-b]purin-1-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(4-oxo-5h-imidazo[2,1-b]purin-1-yl)-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(4-oxo-5h-imidazo[2,1-b]purin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(4-oxo-5h-imidazo[2,1-b]purin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(4-oxo-5h-imidazo[2,1-b]purin-1-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • edguo-ppp
  • epsilon-dgtp
  • n(2),3-etheneodeoxyguanosine-5'-triphosphate
  • n(2),3-ethenodeoxyguanosine 5'-triphosphate
CAS Number(s)
  • 121055-54-7
InChIKey PTYNYVQZWKMAIM-XLPZGREQSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N