4-[(3E)-4-(4-Hydroxyphenyl)-3-Hexen-3-Yl]Phenyl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C24H28O8
IUPAC Name (2s,3s,4s,5s,6s)-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 -1286.1 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 528.33 Å 3
Surface Area 425.01 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
InChIKey LJMPVHCKUXKZAV-CBDAEEAESA-N
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Elements H C O