5,6-Dimethyl-1-(3-O-Phosphono-α-D-Ribofuranosyl)-1H-Benzimidazole

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Properties Simple | Detailed

Formula C14H19N2O7P
IUPAC Name [(2r,3s,4r,5s)-5-(5,6-dimethylbenzimidazol-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 358.284 g·mol−1
Heat of Formation -1453.1 ± 16.7 kJ·mol−1
Dipole Moment 5.35 ± 1.08 D
Volume 384.05 Å 3
Surface Area 327.6 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5s)-5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl] dihydrogen phosphate
  • [(2r,3s,4r,5s)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
  • [(2r,3s,4r,5s)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3s,4r,5s)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate
  • dimethylbenzimidazole-nucleotide
  • phosphoric acid mono-[5-(5,6-dimethyl-benzoimidazol-1-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl] ester
InChIKey JIABVZWSYKDHDJ-SYQHCUMBSA-N
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