4-(β-D-Ribofuranosyl)-1,2,4-Triazin-3(4H)-One 1-Oxide

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Properties Simple | Detailed

Formula C8H11N3O6
IUPAC Name 4-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-oxido-1,2,4-triazin-1-ium-3-one
Molecular Mass 245.189 g·mol−1
Heat of Formation -712.4 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 252.89 Å 3
Surface Area 227.27 Å 2
HOMO Energy -10.53 ± 0.55 eV
LUMO Energy 1.43 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,4-triazin-3(4h)-one, 4-beta-d-ribofuranosyl-, 1-oxide
  • 4-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1-oxido-1,2,4-triazin-1-ium-3-one
  • 4-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-oxido-1,2,4-triazin-1-ium-3-one
  • 4-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1-oxido-1,2,4-triazin-1-ium-3-one
  • 4-beta-d-ribofuranosyl-as-triazin-3(4h)-one 1-oxide
InChIKey WFWMIUSHSIJAKH-DBRKOABJSA-N
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