1-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-1H-Imidazo[2,1-B]Purin-4(5H)-One

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Formula C12H13N5O4++
IUPAC Name 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazo[2,1-b]purine-1,9-diium-4-one
Molecular Mass 291.263 g·mol−1
Heat of Formation -329.1 ± 16.7 kJ·mol−1
Dipole Moment 7.68 ± 1.08 D
Volume 315.59 Å 3
Surface Area 279.75 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5h-imidazo[2,1-b]purin-4-one
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5h-imidazo[2,1-b]purin-4-one
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5h-imidazo[2,1-b]purin-4-one
  • 1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5h-imidazo[2,1-b]purin-4-one
InChIKey DUHWHZGZQYBCAZ-XLPZGREQSA-N
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