(1S)-1,5-Anhydro-1-{2-[(2R)-2-Hydroxypropyl]-7-Methoxy-5-Methyl-4-Oxo-4H-Chromen-8-Yl}-2-O-[(2E)-3-Phenyl-2-Propenoyl]-D-Glucitol
Properties
Property | Value |
---|---|
Formula | C29H32O10 |
IUPAC Name | [(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2r)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (e)-3-phenylprop-2-enoate |
Molecular Mass | 540.558 g·mol−1 |
Heat of Formation | -1570.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.58 ± 1.08 D |
Volume | 638.69 Å 3 |
Surface Area | 485.94 Å 2 |
HOMO Energy | -9.20 ± 0.55 eV |
LUMO Energy | -0.74 ± eV |
Point Group Symmetry | C1 |
InChIKey | YDJIHVUNYBLYLF-CNYNUZHASA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |