5,6-Dichloro-1-(2-O-Phosphono-β-D-Ribofuranosyl)-1H-Benzimidazole

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Properties Simple | Detailed

Formula C12H13Cl2N2O7P
IUPAC Name [(2r,3r,4r,5r)-2-(5,6-dichlorobenzimidazol-1-ium-1-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 399.121 g·mol−1
Heat of Formation -1427.5 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 392.84 Å 3
Surface Area 330.78 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-benzimidazole, 5,6-dichloro-1-(2-o-phosphono-beta-d-ribofuranosyl)-
  • 5,6-dichloro-1-(beta-ribofuranosyl)benzimidazole 2'-phosphate
  • [(2r,3r,4r,5r)-2-(5,6-dichloro-1-benzimidazolyl)-4-hydroxy-5-(hydroxymethyl)-3-tetrahydrofuranyl] dihydrogen phosphate
  • [(2r,3r,4r,5r)-2-(5,6-dichlorobenzimidazol-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
  • [(2r,3r,4r,5r)-2-(5,6-dichlorobenzimidazol-1-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3r,4r,5r)-2-(5,6-dichlorobenzimidazol-1-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate
  • dcrfb 2'-phosphate
  • dcrfb-2'-monophosphate
  • dichlororibofuranosylbenzimidazole 2'-monophosphate
CAS Number(s)
  • 75206-89-2
InChIKey XSKLIPONBPTDBE-DDHJBXDOSA-N
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Elements C Cl H O N P