5-Amino-3-(2-Deoxy-α-D-Erythro-Pentofuranosyl)Imidazo[4,5-D][1,3]Oxazin-7(3H)-One

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Formula C10H12N4O5
IUPAC Name 5-amino-3-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[5,4-d][1,3]oxazin-7-one
Molecular Mass 268.226 g·mol−1
Heat of Formation -640.0 ± 16.7 kJ·mol−1
Dipole Moment 7.08 ± 1.08 D
Volume 282.41 Å 3
Surface Area 261.68 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 5-amino-3-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-7-imidazo[5,4-d][1,3]oxazinone
  • 5-amino-3-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazo[5,4-d][1,3]oxazin-7-one
  • 5-amino-3-[(2s,4s,5r)-4-hydroxy-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-(2-deoxy-beta-d-erythro-pentofuranosyl)-
CAS Number(s)
  • 88899-00-7
InChIKey QCYSYEMPACIOOP-JKUQZMGJSA-N
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