1-Methoxy-3-(2-Nitro-1H-Imidazol-1-Yl)-2-Propanyl β-D-Glucopyranosiduronic Acid

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Formula C13H20N3O10
IUPAC Name (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(1r)-1-(methoxymethyl)-2-(2-nitro-4h-imidazol-1-ium-4-id-3-yl)ethoxy]tetrahydropyran-2-carboxylic acid
Molecular Mass 378.312 g·mol−1
Heat of Formation -1232.7 ± 16.7 kJ·mol−1
Dipole Moment 6.54 ± 1.08 D
Volume 407.76 Å 3
Surface Area 349.34 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey AGTMQQNYEJNPKI-URKRFGABSA-N
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