6-(Phosphonooxy)-9-(5-O-Phosphono-β-D-Ribofuranosyl)-9H-Purine

Molecule SVG Image

Properties Simple | Detailed

Formula C10H14N4O11P2
IUPAC Name [9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl] dihydrogen phosphate
Molecular Mass 428.186 g·mol−1
Heat of Formation -2354.3 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 401.86 Å 3
Surface Area 346.47 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 6-o-phosphoryl inosine monophosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-phosphonooxy-9-purinyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-phosphonooxypurin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • imo
InChIKey RXRZOKQPANIEDW-KQYNXXCUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N