(4As,5R,8R,8As)-N-(7,8-Dimethoxy-2-Oxo-2H-Chromen-3-Yl)-4A,5,8-Trihydroxy-N-Methyl-4A,5,8,8A-Tetrahydro-4H-1,2-Benzoxazine-3-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C21H22N2O9 |
| IUPAC Name | (4as,5r,8r,8as)-n-[7,8-di(methoxy)-2-oxo-chromen-3-yl]-4a,5,8-trihydroxy-n-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide |
| Molecular Mass | 446.407 g·mol−1 |
| Heat of Formation | -1098.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.81 ± 1.08 D |
| Volume | 478.87 Å 3 |
| Surface Area | 404.78 Å 2 |
| HOMO Energy | -8.57 ± 0.55 eV |
| LUMO Energy | 1.96 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PCMUPOUDXMFDRE-NYGSYELISA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |