2-(3,4-Dihydroxyphenyl)Ethyl 2-O-(6-Deoxy-α-L-Mannopyranosyl)-4-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]-Beta-D-Glucopyranoside
Properties
Property | Value |
---|---|
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 |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |