2-Chloro-4-[3-(3-Chloro-4-Hydroxyphenyl)-1,1-Dioxido-3H-2,1-Benzoxathiol-3-Yl]Phenyl β-D-Galactopyranoside

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Formula C25H10Cl2O10S
IUPAC Name (2s,3r,4s,5r,6r)-2-[2-chloro-4-[(3s)-3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Mass 573.312 g·mol−1
Heat of Formation 1231.4 ± 16.7 kJ·mol−1
Dipole Moment 24.84 ± 1.08 D
Volume 486.04 Å 3
Surface Area 390.07 Å 2
HOMO Energy -7.20 ± 0.55 eV
LUMO Energy -4.27 ± eV
Point Group Symmetry C1
InChIKey UYYRDZGZGNYVBA-HCRCWBKNSA-N
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