3-(2-Deoxy-α-D-Erythro-Pentofuranosyl)-4,6-Dimethyl-3,4-Dihydro-9H-Imidazo[1,2-A]Purin-9-One

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Properties Simple | Detailed

Formula C14H19N5O4
IUPAC Name 3-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,6-dimethyl-7h-imidazo[1,2-a]purine-1,5-diium-3a,7-diid-9-one
Molecular Mass 321.332 g·mol−1
Heat of Formation -378.3 ± 16.7 kJ·mol−1
Dipole Moment 8.62 ± 1.08 D
Volume 353.47 Å 3
Surface Area 313.42 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxywyosine
  • 3-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4,6-dimethyl-9-imidazo[1,2-a]purinone
  • 3-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6-dimethyl-imidazo[1,2-a]purin-9-one
  • 3-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,6-dimethyl-imidazo[1,2-a]purin-9-one
  • 3-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-4,6-dimethyl-imidazo[1,2-a]purin-9-one
CAS Number(s)
  • 129266-21-3
InChIKey IPHXYLSCKSTFDP-AEJSXWLSSA-N
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