2-(3,4-Dihydroxyphenyl)Ethyl 2-O-(6-Deoxy-α-L-Mannopyranosyl)-4-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]-Beta-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C29H36O15
IUPAC Name [(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-hydroxy-2-(hydroxymethyl)-5-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 624.587 g·mol−1
Heat of Formation -2558.4 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 691.41 Å 3
Surface Area 530.04 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
InChIKey NFBNGFRFMOYOCE-WBQNLKOCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O