(5Xi)-1-O-[2-(4-Isobutylphenyl)Propanoyl]-β-L-Lyxo-Hexopyranuronic Acid

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Properties Simple | Detailed

Formula C19H26O8
IUPAC Name (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2r)-2-(4-isobutylphenyl)propanoyl]oxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 382.405 g·mol−1
Heat of Formation -1471.5 ± 16.7 kJ·mol−1
Dipole Moment 0.84 ± 1.08 D
Volume 453.05 Å 3
Surface Area 388.56 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
InChIKey ABOLXXZAJIAUGR-WIUBSLGXSA-N
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Elements H C O