5-Amino-1-(5-Amino-5-Deoxy-β-D-Ribofuranosyl)-N-(4-Chlorobenzyl)-1H-Imidazole-4-Carboxamide

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Properties Simple | Detailed

Formula C16H20ClN5O4
IUPAC Name 5-amino-1-[(2r,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-n-[(4-chlorophenyl)methyl]imidazol-1-ium-5-ylium-4-carboxamide
Molecular Mass 381.814 g·mol−1
Heat of Formation -536.8 ± 16.7 kJ·mol−1
Dipole Moment 5.46 ± 1.08 D
Volume 419.2 Å 3
Surface Area 368.81 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 5-amino-1-[(2r,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxy-2-tetrahydrofuranyl]-n-[(4-chlorophenyl)methyl]-4-imidazolecarboxamide
  • 5-amino-1-[(2r,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxy-oxolan-2-yl]-n-[(4-chlorophenyl)methyl]imidazole-4-carboxamide
  • 5-amino-1-[(2r,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-n-(4-chlorobenzyl)imidazole-4-carboxamide
  • 5-amino-1-[(2r,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-n-[(4-chlorophenyl)methyl]imidazole-4-carboxamide
  • 5-amino-1-[(2r,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-n-[(4-chlorophenyl)methyl]imidazole-4-carboxamide
  • 5-amino-5-deoxy-beta-d-ribofuranosylimidazole 4n-((4-chlorophenyl)methyl)carboxamide
  • gp 1-468
  • gp-1-468
CAS Number(s)
  • 142344-38-5
InChIKey FEIAOOLXGPSVDK-XNIJJKJLSA-N
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Elements H C N O Cl