1-(4-Thio-β-D-Ribofuranosyl)-1H-1,2,4-Triazole-3-Carboxamide

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Properties Simple | Detailed

Formula C8H12N4O4S
IUPAC Name 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-4-aza-1-azonia-2-azanidacyclopenta-3,5-diene-3-carboxamide
Molecular Mass 260.270 g·mol−1
Heat of Formation -492.9 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 277.56 Å 3
Surface Area 246.81 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-thio-beta-d-ribofuranosyl)-1,2,4-triazole-3-carboxamide
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrothiophenyl]-1,2,4-triazole-3-carboxamide
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-1,2,4-triazole-3-carboxamide
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-1,2,4-triazole-3-carboxamide
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrothiophen-2-yl]-1,2,4-triazole-3-carboxamide
  • 1h-1,2,4-triazole-3-carboxamide, 1-(4-thio-beta-d-ribofuranosyl)-
CAS Number(s)
  • 58928-39-5
InChIKey ZOISSILEZJGDPC-AFCXAGJDSA-N
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