2-Deoxy-2-(Trimethylammonio)-α-D-Allopyranosyl-(1->4)-2-Acetamido-2-Deoxy-Beta-D-Allopyranosyl-(1->4)-2-Acetamido-2-Deoxy-Beta-D-Allopyranosyl-(1->4)-2-Acetamido-2-Deoxy-D-Allopyranose

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Formula C33H59N4O20+
IUPAC Name [(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r,6r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-trimethylazanium
Molecular Mass 831.836 g·mol−1
Heat of Formation -442.8 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 776.94 Å 3
Surface Area 504.63 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -2.83 ± eV
Point Group Symmetry C1
InChIKey WQUCMKJYZLSZGP-NDKNBMRYSA-O
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