(1S)-1,4-Anhydro-1-(3-Carbamoyl-1H-1,2,4-Triazol-5-Yl)-D-Ribitol

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Properties Simple | Detailed

Formula C8H12N4O5
IUPAC Name 5-[(2s,3r,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 -696.3 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 259.9 Å 3
Surface Area 234.13 Å 2
HOMO Energy -10.43 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,4-triazole-3-carboxamide, 5-.beta.-d-ribofuranosyl-
  • 1h-1,2,4-triazole-3-carboxamide, 5-beta-d-ribofuranosyl-
  • 3-beta-d-ribofuranosyl-1,2,4-triazole-5-carboxamide
  • 3-brtc
  • 3-ribofuranosyl-1,2,4-triazole-5-carboxamide
  • 5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1h-1,2,4-triazole-3-carboxamide
  • 5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1h-1,2,4-triazole-3-carboxamide
  • 5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-1,2,4-triazole-3-carboxamide
  • 5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1h-1,2,4-triazole-3-carboxamide
CAS Number(s)
  • 62404-64-2
InChIKey UZAZHIXEGDBPKD-TXICZTDVSA-N
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