10-Hydroxy-8-[(2R,4S,5R)-5-Hydroxy-4-(Hydroxymethyl)-1,3-Dioxan-2-Yl]-3-Methyl-7-(2-Oxopropyl)-1-Propyl-1H-Benzo[G]Isochromene-6,9-Dione
Properties
Property | Value |
---|---|
Formula | C25H28O9 |
IUPAC Name | (1r)-7-acetonyl-10-hydroxy-8-[(2r,4s,5r)-5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methyl-1-propyl-1h-benzo[g]isochromene-6,9-dione |
Molecular Mass | 472.484 g·mol−1 |
Heat of Formation | -1432.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.85 ± 1.08 D |
Volume | 540.6 Å 3 |
Surface Area | 438.76 Å 2 |
HOMO Energy | -9.01 ± 0.55 eV |
LUMO Energy | 1.45 ± eV |
Point Group Symmetry | C1 |
InChIKey | UYZRGLQTRZRYKC-HCSKMRSTSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |