1-(5-O-Sulfamoyl-β-D-Ribofuranosyl)-1H-1,2,4-Triazole-3-Carboxamide

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Properties Simple | Detailed

Formula C8H13N5O7S
IUPAC Name [(2r,3s,4r,5r)-5-(3-carbamoyl-4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate
Molecular Mass 323.283 g·mol−1
Heat of Formation -989.3 ± 16.7 kJ·mol−1
Dipole Moment 7.38 ± 1.08 D
Volume 331.64 Å 3
Surface Area 279.64 Å 2
HOMO Energy -10.58 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5'-o-sulfamoyl-beta-ribofuranosyl)-(1,2,4)triazole-3-carboxamide
  • 1h-1,2,4-triazole-3-carboxamide, 1-(5-o-(aminosulfonyl)-beta-d-ribofuranosyl)-
  • 5'-o-sulfamoyl-1-ribofuranosyl-1,2,4-triazole-3-carboxamide
  • [(2r,3s,4r,5r)-5-(3-aminocarbonyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl sulfamate
  • [(2r,3s,4r,5r)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate
  • [(2r,3s,4r,5r)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
  • ribavirin 5'-sulfamate
  • sulfamic acid [(2r,3s,4r,5r)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
  • sulfamic acid [(2r,3s,4r,5r)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
CAS Number(s)
  • 120615-22-7
InChIKey XNONLXYJUOPNLN-AFCXAGJDSA-N
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