2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl 6-O-(6-Deoxy-α-L-Mannopyranosyl)-4-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]-Beta-D-Glucopyranoside
Properties
Property | Value |
---|---|
Formula | C29H36O16 |
IUPAC Name | [(2r,3s,4r,5r,6r)-6-[(2r)-2-(3,4-dihydroxyphenyl)-2-hydroxy-ethoxy]-4,5-dihydroxy-2-[[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
Molecular Mass | 640.587 g·mol−1 |
Heat of Formation | -2668.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.00 ± 1.08 D |
Volume | 708.4 Å 3 |
Surface Area | 578.45 Å 2 |
HOMO Energy | -8.79 ± 0.55 eV |
LUMO Energy | -0.99 ± eV |
Point Group Symmetry | C1 |
InChIKey | IAXBXCJUSPUULA-OLUAFTSTSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |