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

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Properties Simple | Detailed

Formula C12H14N5O7P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-(4-oxoimidazo[2,1-b]purine-1,5,9-triium-9a-ylium-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 371.243 g·mol−1
Heat of Formation -1194.8 ± 16.7 kJ·mol−1
Dipole Moment 8.80 ± 1.08 D
Volume 372.34 Å 3
Surface Area 322.86 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-imidazo(2,1-b)purin-4-one, 1-(2-deoxy-5-o-phosphono-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 dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(4-oxo-5h-imidazo[2,1-b]purin-1-yl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(4-oxo-5h-imidazo[2,1-b]purin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(4-oxo-5h-imidazo[2,1-b]purin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • edguo-p
  • n(2),3-ethenodeoxyguanosine 5'-phosphate
CAS Number(s)
  • 121055-52-5
InChIKey MLEPRVZQWBELSK-XLPZGREQSA-N
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