1-(2-Deoxy-α-D-Erythro-Pentofuranosyl)-5-Methyl-2(1H)-Pyrazinone 4-Oxide

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Properties Simple | Detailed

Formula C10H16N2O5+
IUPAC Name 4-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-1-oxido-2h-pyrazin-2-id-3-one
Molecular Mass 244.244 g·mol−1
Heat of Formation -675.6 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 272.67 Å 3
Surface Area 249.58 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-dihydro-1-(2-deoxy-beta-erythro-pentofuranosyl) -2-oxo-5-methylpyrazine-4-oxide
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methyl-4-oxido-2-pyrazin-4-iumone
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-oxido-pyrazin-4-ium-2-one
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-oxidopyrazin-4-ium-2-one
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-4-oxido-pyrazin-4-ium-2-one
  • 1-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-4-oxido-pyrazin-4-ium-2-one
  • 2(1h)-pyrazinone, 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-5-methyl-, 4-oxide
CAS Number(s)
  • 61556-73-8
InChIKey PAVQITQTHGMQOW-XKSSXDPKSA-N
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