1-S-[(1E)-2-(1H-Indol-3-Yl)-N-(Sulfooxy)Ethanimidoyl]-1-Thio-β-D-Glucopyranose

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Formula C16H20N2O9S2
IUPAC Name [(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1e)-2-indol-1-ium-3-yl-n-sulfooxy-ethanimidothioate
Molecular Mass 448.468 g·mol−1
Heat of Formation -1298.9 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 466.68 Å 3
Surface Area 344.54 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
InChIKey DNDNWOWHUWNBCK-VNUYGXGPSA-N
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