(1S)-1,4-Anhydro-1-(5-Carbamoyl-1H-Imidazol-2-Yl)-D-Ribitol

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Properties Simple | Detailed

Formula C9H13N3O5
IUPAC Name 2-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-imidazole-5-carboxamide
Molecular Mass 243.217 g·mol−1
Heat of Formation -786.6 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 266.09 Å 3
Surface Area 245.24 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-imidazole-4-carboxamide
  • 2-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-imidazole-4-carboxamide
  • 2-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-imidazole-4-carboxamide
  • 2-[(2s,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3h-imidazole-4-carboxamide
InChIKey ANFFQBLIBYTTIG-DBRKOABJSA-N
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