5-Methoxy-1-(5-O-Phosphono-α-D-Ribofuranosyl)-1H-Benzimidazole

Molecule SVG Image

Properties Simple | Detailed

Formula C13H17N2O8P
IUPAC Name [(2r,3s,4r,5s)-3,4-dihydroxy-5-(5-methoxy-2h-benzimidazol-1-ium-2-ylium-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 360.256 g·mol−1
Heat of Formation -1509.2 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 375.23 Å 3
Surface Area 338.98 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5s)-3,4-dihydroxy-5-(5-methoxy-1-benzimidazolyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5s)-3,4-dihydroxy-5-(5-methoxybenzimidazol-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5s)-3,4-dihydroxy-5-(5-methoxybenzimidazol-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • n1-(5'-phospho-alpha-ribosyl)-5-methoxybenzimidazole
  • phosporic acid mono-[3,4-dihydroxy-5-(5-methoxy-benzoimidazol-1-yl)-tetrahydro-furan-2-ylmethyl] ester
  • pmo
InChIKey VYUPJUKSTVHSQI-LPWJVIDDSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N