1-O-[3-(1H-Imidazol-4-Yl)Propanimidoyl]-α-D-Altropyranose

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Formula C12H19N3O6
IUPAC Name [(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3-imidazol-3-ium-4-ylium-4-ylpropanimidate
Molecular Mass 301.296 g·mol−1
Heat of Formation -984.1 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 345.64 Å 3
Surface Area 281.34 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
InChIKey IVLWPPRPYFRCJU-MDRTYKRJSA-N
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