4-[4-(4-Hydroxyphenyl)-3-Hexen-3-Yl]Phenyl Hexopyranosiduronic Acid

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Properties Simple | Detailed

Formula C24H28O8
IUPAC Name (2s,3s,4s,5r,6r)-6-[4-[(e)-1-ethyl-2-(4-hydroxyphenyl)but-1-enyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 444.474 g·mol−1
Heat of Formation -1287.6 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 526.77 Å 3
Surface Area 437.96 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
InChIKey LJMPVHCKUXKZAV-VZVLDYGMSA-N
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Elements H C O