5-Bromo-4-Chloro-1H-Indol-3-Yl α-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C14H13BrClNO7
IUPAC Name (2s,3s,4s,5r,6r)-6-[(5-bromo-4-chloro-1h-indol-3-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 422.613 g·mol−1
Heat of Formation -1095.9 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 374.59 Å 3
Surface Area 313.64 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
InChIKey DHJFFLKPAYHPHU-HNRZYHPDSA-N
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Elements C Cl H O N Br