5-Amino-1-[5-(Benzylamino)-5-Deoxy-β-D-Ribofuranosyl]-1H-Imidazole-4-Carboxamide

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Properties Simple | Detailed

Formula C16H21N5O4
IUPAC Name 5-amino-1-[(2r,3r,4s,5r)-5-[(benzylamino)methyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]imidazol-1-ium-5-ylium-4-carboxamide
Molecular Mass 347.369 g·mol−1
Heat of Formation -529.2 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 391.78 Å 3
Surface Area 298.2 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-4-carboxamide, 5-amino-1-(5-deoxy-5-((phenylmethyl)amino)-beta-d-ribofuranosyl)-
  • 5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[(phenylmethylamino)methyl]-2-tetrahydrofuranyl]-4-imidazolecarboxamide
  • 5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[(phenylmethylamino)methyl]oxolan-2-yl]imidazole-4-carboxamide
  • 5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[(phenylmethylamino)methyl]tetrahydrofuran-2-yl]imidazole-4-carboxamide
  • 5-amino-1-[(2r,3r,4s,5r)-5-[(benzylamino)methyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]imidazole-4-carboxamide
  • 5-amino-1-beta-d-(5'-benzylamino-5'-deoxyribofuranosyl)imidazole-4-carboxamide
  • gp 531
  • gp-531
CAS Number(s)
  • 142344-87-4
InChIKey LECUGLHMNZTZQB-XNIJJKJLSA-N
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