2-Acetamido-2-Deoxy-β-D-Glucopyranosyl-(1->3)-β-D-Galactopyranosyl-(1->4)-D-Glucose

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Formula C20H35NO16
IUPAC Name (2r,3r,4r,5r)-3-[(2s,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-(acetylamino)-4-hydroxy-5-oxido-6-(oxidomethyl)tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-(oxidomethyl)tetrahydropyran-2-yl]oxy-6-oxo-hexane-1,2,4,5-tetrolate
Molecular Mass 545.489 g·mol−1
Heat of Formation -2997.7 ± 16.7 kJ·mol−1
Dipole Moment 9.27 ± 1.08 D
Volume 600.76 Å 3
Surface Area 462.35 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry C1
InChIKey RJTOFDPWCJDYFZ-SPVZFZGWSA-N
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