3-Hydroxy-2-[3-(4-Hydroxyphenyl)Propanoyl]-5-Methoxyphenyl β-L-Glucopyranoside

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Properties Simple | Detailed

Formula C22H26O10
IUPAC Name 1-[2-hydroxy-4-methoxy-6-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
Molecular Mass 450.436 g·mol−1
Heat of Formation -1647.8 ± 16.7 kJ·mol−1
Dipole Moment 8.49 ± 1.08 D
Volume 509.89 Å 3
Surface Area 411.47 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
InChIKey PQCIBORQLVRFMR-XBJCXQGOSA-N
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Elements H C O