(3S,5R,6E)-7-[4,5-Bis(4-Fluorophenyl)-2-Isopropyl-1H-Imidazol-1-Yl]-3,5-Dihydroxy-6-Heptenoic Acid

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Properties Simple | Detailed

Formula C25H26F2N2O4
IUPAC Name (e,3s,5r)-7-[4,5-bis(4-fluorophenyl)-2-isopropyl-imidazol-1-ium-2-ylium-1-yl]-3,5-dihydroxy-hept-6-enoic acid
Molecular Mass 456.482 g·mol−1
Heat of Formation -913.7 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 544.92 Å 3
Surface Area 437.65 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (e,3s,5r)-7-[4,5-bis(4-fluorophenyl)-2-isopropyl-1-imidazolyl]-3,5-dihydroxyhept-6-enoic acid
  • (e,3s,5r)-7-[4,5-bis(4-fluorophenyl)-2-isopropyl-imidazol-1-yl]-3,5-dihydroxy-hept-6-enoic acid
  • (e,3s,5r)-7-[4,5-bis(4-fluorophenyl)-2-propan-2-yl-imidazol-1-yl]-3,5-dihydroxy-hept-6-enoic acid
  • (e,3s,5r)-7-[4,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
  • 3,5-dihydroxy-7-(4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1h-imidazol-1-yl)-6-heptenoic acid
  • 6-heptenoic acid, 7-(4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1h-imidazol-1-yl)-3,5-dihydroxy-, (r*,s*-(e))-(+-)-
  • gr 92549
  • gr-92549
CAS Number(s)
  • 144501-27-9
InChIKey GQOQQDINYJTQDY-GOHIESPPSA-N
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