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

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Properties Simple | Detailed

Formula C12H13Cl2N2O7P
IUPAC Name [(2r,3s,4r,5r)-5-(5,6-dichlorobenzimidazol-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 399.121 g·mol−1
Heat of Formation -1422.6 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 387.92 Å 3
Surface Area 338.25 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-benzimidazole, 5,6-dichloro-1-(5-o-phosphono-beta-d-ribofuranosyl)-
  • 5,6-dichloro-1-ribofuranosylbenzimidazole 5'-monophosphate
  • [(2r,3s,4r,5r)-5-(5,6-dichloro-1-benzimidazolyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(5,6-dichlorobenzimidazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(5,6-dichlorobenzimidazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • dcrfb-5'-monophosphate
CAS Number(s)
  • 72586-79-9
InChIKey SDRPYWMKLJILCQ-DDHJBXDOSA-N
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Elements C Cl H O N P