5-O-[(2E)-3-(4-Hydroxy-3-Methoxyphenyl)-2-Propenoyl]-L-Arabinofuranosyl-(1->3)-β-D-Xylopyranosyl-(1->4)-D-Xylose

Molecule SVG Image

Properties Simple | Detailed

Formula C25H34O16
IUPAC Name 4-[(e)-3-[[(2s,3r,4r,5s)-5-[(2s,3r,4s,5r)-3,5-dihydroxy-2-[(1r,2r,3r)-2-hydroxy-1-(hydroxymethyl)-3-oxido-4-oxo-butoxy]tetrahydropyran-4-yl]oxy-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-3-oxo-prop-1-enyl]-2-methoxy-benzene-3,5,6-triid-1-olate
Molecular Mass 590.528 g·mol−1
Heat of Formation -2706.7 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 641.77 Å 3
Surface Area 528.51 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
InChIKey ZZXREVQVZCYAIE-AQBJQQCASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O