5-Amino-3-(β-D-Ribofuranosyl)Imidazo[4,5-D][1,3]Oxazin-7(3H)-One

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Properties Simple | Detailed

Formula C10H12N4O6
IUPAC Name 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-oxa-7-aza-5,9-diazoniabicyclo[4.3.0]nona-1(9),4,5,8-tetraen-2-one
Molecular Mass 284.225 g·mol−1
Heat of Formation -810.8 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 296.0 Å 3
Surface Area 263.95 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
Synonyms
  • 5-amino-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-7-imidazo[5,4-d][1,3]oxazinone
  • 5-amino-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazo[5,4-d][1,3]oxazin-7-one
  • 5-amino-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]imidazo[5,4-d][1,3]oxazin-7-one
  • imidazo[4,5-d][1,3]oxazin-7(3h)-one, 5-amino-3-.beta.-d-ribofuranosyl-
InChIKey PWVUOVPUCZNICU-ZIYNGMLESA-N
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