N-(4-{[6-Deoxyhexopyranosyl-(1->2)-[Hexopyranosyl-(1->3)]Hexopyranosyl]Oxy}Phenyl)-2,2,2-Trifluoroacetamide

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Formula C26H36F3NO16
IUPAC Name (2s,3r,4r,5r,6s)-2-methyl-6-[(2s,3r,4s,5s,6r)-5-oxido-6-(oxidomethyl)-2-[4-(2,2,2-trifluoroacetyl)azanidylbenzene-2,3,5,6-tetraid-1-yl]oxy-4-[(2r,3s,4s,5r,6r)-3,4,5-trioxido-6-(oxidomethyl)tetrahydropyran-6-id-2-yl]oxy-tetrahydropyran-3-yl]oxy-tetrahydropyran-2,3,4-triide-3,4,5-triolate
Molecular Mass 675.556 g·mol−1
Heat of Formation -462.4 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 594.58 Å 3
Surface Area 483.16 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -2.19 ± eV
Point Group Symmetry C1
InChIKey UBHLVSZRNZCPHX-FJBGQUAWSA-N
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