(1S)-1,5-Anhydro-1-[7-Hydroxy-3-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-8-Yl]-D-Glucitol
Properties
Property | Value |
---|---|
Formula | C21H20O9 |
IUPAC Name | 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one |
Molecular Mass | 416.378 g·mol−1 |
Heat of Formation | -1322.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.02 ± 1.08 D |
Volume | 450.79 Å 3 |
Surface Area | 382.44 Å 2 |
HOMO Energy | -9.01 ± 0.55 eV |
LUMO Energy | -0.76 ± eV |
Point Group Symmetry | C1 |
InChIKey | HKEAFJYKMMKDOR-SFWRJULSSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |