Methyl α-D-Mannopyranosyl-(1->3)-[6-Thio-α-D-Mannopyranosyl-(1->6)]-Beta-D-Mannopyranoside

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Formula C19H34O15S
IUPAC Name (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-(sulfanylmethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-4-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 534.529 g·mol−1
Heat of Formation -2804.8 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 572.68 Å 3
Surface Area 430.21 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey WBIBEEBXYYTGCR-VWYHBGBYSA-N
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