5-Bromo-4-Chloro-1H-Indol-3-Yl β-D-Mannopyranoside

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Formula C14H15BrClNO6
IUPAC Name (2s,3s,4s,5s,6r)-2-(5-bromo-4-chloro-indol-1-ium-3-yl)oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 408.629 g·mol−1
Heat of Formation -925.7 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 379.26 Å 3
Surface Area 314.87 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
InChIKey OPIFSICVWOWJMJ-YRSIJOKUSA-N
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Elements C Cl H O N Br