(1E)-1-Chloro-3-Ethyl-1-Penten-4-Yn-3-Yl β-D-Glucopyranosiduronic Acid

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Formula C13H17ClO7
IUPAC Name (2s,3s,4s,5r,6s)-6-[(e,1s)-3-chloro-1-ethyl-1-ethynyl-allyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 320.723 g·mol−1
Heat of Formation -1032.6 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 302.94 Å 3
Surface Area 252.86 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
InChIKey QVPCVYXUELXQBC-DPNXDDFFSA-N
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Elements H C O Cl