2-{(5S,11Ar)-3,11A-Di[(2S)-2-Butanyl]-2,4-Dihydroxy-5-Oxido-1-Oxo-1,11A-Dihydro-2H-Pyrazino[1,2-B][1,4,2]Benzodioxazin-9-Yl}-3,6-Dihydroxy-5-(4-Hydroxyphenyl)-1,4-Benzoquinone
Properties
| Property | Value |
|---|---|
| Formula | C30H31N2O11+ |
| IUPAC Name | 2-(2,4-dihydroxy-5-oxido-1-oxo-3,11a-disec-butyl-pyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl)-3,6-dihydroxy-5-(4-hydroxyphenyl)-1,4-benzoquinone |
| Molecular Mass | 595.574 g·mol−1 |
| Heat of Formation | -1090.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.52 ± 1.08 D |
| Volume | 658.82 Å 3 |
| Surface Area | 531.67 Å 2 |
| HOMO Energy | -9.06 ± 0.55 eV |
| LUMO Energy | -1.54 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HEXAABFDZKPMQT-FFVWIXTISA-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 |