2-Isopropyl-5-Methylcyclohexyl β-D-Glucopyranosiduronic Acid

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Formula C16H28O7
IUPAC Name (2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2-isopropyl-5-methyl-cyclohexoxy)tetrahydropyran-2-carboxylic acid
Molecular Mass 332.389 g·mol−1
Heat of Formation -1461.3 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 404.52 Å 3
Surface Area 325.57 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy 0.69 ± eV
Point Group Symmetry C1
InChIKey CLJGMBYGTHRUNF-PJVTZUHESA-N
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Elements H C O