1-{5-O-[Hydroxy(Phosphonooxy)Phosphoryl]-β-D-Ribofuranosyl}-1H-1,2,4-Triazole-3-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C8H14N4O11P2
IUPAC Name [(2r,3s,4r,5r)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 404.164 g·mol−1
Heat of Formation -2408.9 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 382.28 Å 3
Surface Area 308.74 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,4-triazole-3-carboxamide, 1-(5-o-(hydroxy(phosphonooxy)phosphinyl)-beta-d-ribofuranosyl)-
  • [(2r,3s,4r,5r)-5-(3-aminocarbonyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [5-(3-carbamoyl(1,2,4-triazolyl))-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • rdp
  • ribavirin 5'-diphosphate
  • ribavirin-dp
CAS Number(s)
  • 63142-70-1
InChIKey HWSPXPQHONXITJ-AFCXAGJDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N