N-[3-(β-D-Glucopyranosyloxy)-1,2-Dimethoxy-10-(Methylsulfanyl)-9-Oxo-5,6,7,9-Tetrahydrobenzo[A]Heptalen-7-Yl]Acetamide
Properties
| Property | Value |
|---|---|
| Formula | C27H33NO10S |
| IUPAC Name | n-[(7s)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6,7-dihydro-5h-benzo[a]heptalen-7-yl]acetamide |
| Molecular Mass | 563.617 g·mol−1 |
| Heat of Formation | -1521.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.46 ± 1.08 D |
| Volume | 639.05 Å 3 |
| Surface Area | 477.57 Å 2 |
| HOMO Energy | -8.27 ± 0.55 eV |
| LUMO Energy | -0.85 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LEQAKWQJCITZNK-XXDQEUQRSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |