1-(β-D-Glucopyranosyl)-4-Phenyl-1H-1,2,3-Triazole

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Properties Simple | Detailed

Formula C14H17N3O5
IUPAC Name (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-(4-phenyl-2-aza-1-azonia-3-azanidacyclopenta-1,4-dien-1-yl)tetrahydropyran-3,4,5-triol
Molecular Mass 307.302 g·mol−1
Heat of Formation -573.1 ± 16.7 kJ·mol−1
Dipole Moment 0.83 ± 1.08 D
Volume 345.88 Å 3
Surface Area 311.8 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
InChIKey SLCZDPXCZLKLKY-RKQHYHRCSA-N
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