4,6-Dimethyl-3-(2,3,5-Tri-O-Acetyl-D-Ribofuranosyl)-3,4-Dihydro-9H-Imidazo[1,2-A]Purin-9-One

Molecule SVG Image

Properties Simple | Detailed

Formula C20H23N5O8
IUPAC Name [(2r,3r,4r,5r)-4-acetoxy-5-(4,6-dimethyl-9-oxo-7h-imidazo[1,2-a]purin-5-ium-3a,7-diid-3-yl)-2-(1-hydroxyvinyloxymethyl)tetrahydrofuran-3-yl] acetate
Molecular Mass 461.425 g·mol−1
Heat of Formation -1120.2 ± 16.7 kJ·mol−1
Dipole Moment 11.75 ± 1.08 D
Volume 509.35 Å 3
Surface Area 423.48 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4r,5r)-4-acetoxy-5-(acetoxymethyl)-2-(4,6-dimethyl-9-oxo-imidazo[1,2-a]purin-3-yl)tetrahydrofuran-3-yl] acetate
  • [(2r,3r,4r,5r)-4-acetyloxy-5-(acetyloxymethyl)-2-(4,6-dimethyl-9-oxo-imidazo[1,2-a]purin-3-yl)oxolan-3-yl] ethanoate
  • [(2r,3r,4r,5r)-4-acetyloxy-5-(acetyloxymethyl)-2-(4,6-dimethyl-9-oxoimidazo[1,2-a]purin-3-yl)oxolan-3-yl] acetate
  • acetic acid [(2r,3r,4r,5r)-4-acetoxy-5-(acetoxymethyl)-2-(4,6-dimethyl-9-oxo-3-imidazo[1,2-a]purinyl)-3-tetrahydrofuranyl] ester
  • acetic acid [(2r,3r,4r,5r)-4-acetoxy-5-(acetoxymethyl)-2-(9-keto-4,6-dimethyl-imidazo[1,2-a]purin-3-yl)tetrahydrofuran-3-yl] ester
InChIKey PUYTUMJVWYVLSJ-NVQRDWNXSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N