1-S-[2-(4-Hydroxy-1H-Indol-3-Yl)-N-(Sulfonatooxy)Ethanimidoyl]-1-Thiohexopyranose

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Formula C16H20N2O10S2
IUPAC Name [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1z)-2-(4-hydroxy-1h-indol-3-yl)-n-sulfooxy-ethanimidothioate
Molecular Mass 464.467 g·mol−1
Heat of Formation 479.0 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 424.61 Å 3
Surface Area 354.66 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -3.43 ± eV
Point Group Symmetry C1
InChIKey CSMYCLLHRFFFLG-WVGMDVCISA-M
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