1-[2-(Allyloxy)Phenoxy]-3-(Isopropylamino)-2-Propanyl β-D-Glucopyranosiduronic Acid

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Formula C21H31NO9
IUPAC Name (2s,3s,4s,5r,6r)-6-[(1r)-1-[(2-allyloxyphenoxy)methyl]-2-(isopropylamino)ethoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 441.472 g·mol−1
Heat of Formation -1454.9 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 535.0 Å 3
Surface Area 428.08 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
InChIKey CJVSRVDYHNLUAN-ZJIWIORTSA-N
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