6-[(3β)-Cholest-5-En-3-Yloxy]Hexyl 1-Thio-β-D-Mannopyranoside

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Formula C39H68O6S
IUPAC Name (2s,3r,4s,5r,6r)-2-[6-[[(3r,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]hexylsulfanyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 665.019 g·mol−1
Heat of Formation -1496.4 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 867.61 Å 3
Surface Area 706.27 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.72 ± eV
Point Group Symmetry C1
InChIKey CGPHGTBLEBJCCB-LFMDNDDKSA-N
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