1-{5-[(1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl]-1H-Imidazol-2-Yl}Ethanone

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Properties Simple | Detailed

Formula C9H14N2O5
IUPAC Name 1-[5-[(1r,2s,3r)-1,2,3,4-tetrahydroxybutyl]-1h-imidazol-2-yl]ethanone
Molecular Mass 230.218 g·mol−1
Heat of Formation -814.0 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 265.16 Å 3
Surface Area 247.72 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-[(1r,2s,3r)-1,2,3,4-tetrahydroxybutyl]-3h-imidazol-2-yl]ethanone
  • 2-acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)-imidazole (thi)
  • 2-acetyl-4(5)-tetrahydroxybutylimidazole
  • 2-acetyl-4-tetrahydroxybutylimidazole
  • 2-athbi
  • ethanone, 1-(4-(1,2,3,4-tetrahydroxybutyl)-1h-imidazol-2-yl)-, (1r-(1r*,2s*,3r*))-
CAS Number(s)
  • 94944-70-4
InChIKey CQSIXFHVGKMLGQ-BWZBUEFSSA-N
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