(5R,6S)-6-[(1R)-1-Hydroxyethyl]-3-{7-[(3-Methyl-1H-Imidazol-3-Ium-1-Yl)Methyl]-9-Oxo-9H-Fluoren-3-Yl}-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C27H23N3O5
IUPAC Name (5r,6s)-6-(1-hydroxyethyl)-3-[7-[(3-methylimidazol-3-ium-1-yl)methyl]-9-oxofluoren-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Molecular Mass 469.489 g·mol−1
Heat of Formation -170.6 ± 16.7 kJ·mol−1
Dipole Moment 8.52 ± 1.08 D
Volume 538.65 Å 3
Surface Area 416.84 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6s)-6-(1-hydroxyethyl)-3-[7-[(3-methyl-1-imidazol-3-iumyl)methyl]-9-oxo-3-fluorenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
  • (5r,6s)-6-(1-hydroxyethyl)-3-[7-[(3-methylimidazol-3-ium-1-yl)methyl]-9-oxo-fluoren-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
  • (5r,6s)-6-(1-hydroxyethyl)-7-keto-3-[9-keto-7-[(3-methylimidazol-3-ium-1-yl)methyl]fluoren-3-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
InChIKey ZPXTVRPOCJUEHR-BQKRCXSJSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N