1-S-[(1Z)-2-(4-Methoxy-1H-Indol-3-Yl)-N-(Sulfooxy)Ethanimidoyl]-1-Thiohexopyranose

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Formula C17H22N2O10S2
IUPAC Name [(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1z)-2-(4-methoxyindol-1-ium-3-yl)-n-sulfooxy-ethanimidothioate
Molecular Mass 478.494 g·mol−1
Heat of Formation -1445.9 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 504.77 Å 3
Surface Area 383.03 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
InChIKey IIAGSABLXRZUSE-NVSFWDQMSA-N
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