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

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Properties Simple | Detailed

Formula C20H26N5O8
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 464.449 g·mol−1
Heat of Formation -1105.7 ± 16.7 kJ·mol−1
Dipole Moment 11.67 ± 1.08 D
Volume 513.88 Å 3
Surface Area 435.12 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 2.60 ± 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
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