1-(α-D-Arabinofuranosyl)-1H-1,2,4-Triazole-3-Carboxamide

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Properties Simple | Detailed

Formula C8H12N4O5
IUPAC Name 1-[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-aza-1-azonia-2-azanidacyclopenta-3,5-diene-3-carboxamide
Molecular Mass 244.205 g·mol−1
Heat of Formation -695.3 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 264.38 Å 3
Surface Area 246.19 Å 2
HOMO Energy -10.47 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1,2,4-triazole-3-carboxamide
  • 1-[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
  • 1-[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide
  • 1-[(2s,3s,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide
InChIKey IWUCXVSUMQZMFG-BWSHDJSZSA-N
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