N-[(2E)-3-{(2R,3S,4R,5R)-3,4-Dihydroxy-5-[4-(Trifluoromethyl)-1H-Imidazol-1-Yl]Tetrahydro-2-Furanyl}-2-Propen-1-Yl]-2,3-Dihydroxy-5-Nitrobenzamide

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Properties Simple | Detailed

Formula C18H18F3N4O8
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 475.353 g·mol−1
Heat of Formation -1484.4 ± 16.7 kJ·mol−1
Dipole Moment 8.21 ± 1.08 D
Volume 488.61 Å 3
Surface Area 374.94 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 1.72 ± eV
Point Group Symmetry C1
InChIKey VZQNYKXXPHSQLJ-LWULHLCXSA-N
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