N-[(E)-3-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-[5-(Trifluoromethyl)-4H-Imidazol-1-Ium-4-Id-3-Yl]Tetrahydrofuran-2-Yl]Allyl]-2,3-Dihydroxy-5-Nitro-Benzamide

Molecule SVG Image

Properties Simple | Detailed

Formula C18H17F3N4O8
IUPAC Name n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[5-(trifluoromethyl)-4h-imidazol-1-ium-4-id-3-yl]tetrahydrofuran-2-yl]allyl]-2,3-dihydroxy-5-nitro-benzamide
Molecular Mass 474.345 g·mol−1
Heat of Formation -1504.4 ± 16.7 kJ·mol−1
Dipole Moment 8.32 ± 1.08 D
Volume 483.01 Å 3
Surface Area 380.11 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 1.64 ± eV
Point Group Symmetry C1
InChIKey DPQLJPRLOFJRBA-LWULHLCXSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N