β-D-Galactopyranosyl-(1->4)-2-Acetamido-2-Deoxy-β-D-Glucopyranosyl-(1->3)-(2Xi)-2-Acetamido-2-Deoxy-D-Lyxo-Hexose

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Formula C22H38N2O16
IUPAC Name n-[(2r,3r,4r,5s,6r)-2-[(1r,2s,3r)-1-[(1s)-1-acetamido-2-oxo-ethyl]-2,3,4-trihydroxy-butoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
Molecular Mass 586.541 g·mol−1
Heat of Formation -2985.1 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 673.43 Å 3
Surface Area 513.91 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
InChIKey PUQUGBOXXFGOQF-YPFDPXEFSA-N
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