1-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-2(1H)-Pyrazinone 4-Oxide

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Formula C9H14N2O5+
IUPAC Name 4-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-oxido-2h-pyrazin-2-id-3-one
Molecular Mass 230.218 g·mol−1
Heat of Formation -613.2 ± 16.7 kJ·mol−1
Dipole Moment 8.24 ± 1.08 D
Volume 249.8 Å 3
Surface Area 231.86 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4-oxido-2-pyrazin-4-iumone
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxido-pyrazin-4-ium-2-one
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxidopyrazin-4-ium-2-one
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxido-pyrazin-4-ium-2-one
  • 1-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-4-oxido-pyrazin-4-ium-2-one
InChIKey BCIAXXSXOIPUOE-OOZYFLPDSA-N
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