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

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Properties Simple | Detailed

Formula C13H17N2O7P
IUPAC Name [(2r,3s,4r,5s)-3,4-dihydroxy-5-(5-methyl-2h-benzimidazol-1-ium-2-ylium-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 344.257 g·mol−1
Heat of Formation -1390.1 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 363.64 Å 3
Surface Area 328.2 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5s)-3,4-dihydroxy-5-(5-methyl-1-benzimidazolyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5s)-3,4-dihydroxy-5-(5-methylbenzimidazol-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5s)-3,4-dihydroxy-5-(5-methylbenzimidazol-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • mono-[3,4-dihydroxy-5-(5-methyl-benzoimidazol-1-yl)-tetrahydor-furan-2-ylmethyl] ester
  • n1-(5'-phospho-alpha-ribosyl)-5-methylbenzimidazole
  • rmb
InChIKey HGUDFQQPANTQEU-LPWJVIDDSA-N
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