Methyl 2-Acetamido-2-Deoxy-β-D-Glucopyranosyl-(1->2)-Alpha-D-Mannopyranosyl-(1->3)-[Alpha-D-Mannopyranosyl-(1->6)-6-Thio-Alpha-D-Mannopyranosyl-(1->6)]-β-D-Mannopyranoside

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Formula C33H57NO25S
IUPAC Name n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4s,5s,6r)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-methoxy-6-[[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-[[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanylmethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 899.862 g·mol−1
Heat of Formation -4638.3 ± 16.7 kJ·mol−1
Dipole Moment 6.44 ± 1.08 D
Volume 981.58 Å 3
Surface Area 711.09 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
InChIKey ROKHVBHTOKKHED-VJVCVSGKSA-N
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