4-{(5R,11Ar)-3,11A-Di[(2S)-2-Butanyl]-4-Hydroxy-2-Methoxy-5-Oxido-1-Oxo-1,11A-Dihydro-2H-Pyrazino[1,2-B][1,4,2]Benzodioxazin-9-Yl}-4',5,6-Trihydroxy-2,3-Biphenyldiyl Diacetate
Properties
| Property | Value |
|---|---|
| Formula | C35H38N2O13 |
| IUPAC Name | [2-acetoxy-3-[(11ar)-4-hydroxy-2-methoxy-3,11a-bis[(1s)-1-methylpropyl]-5-oxido-1-oxo-pyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]-4,5-dihydroxy-6-(4-hydroxyphenyl)phenyl] acetate |
| Molecular Mass | 694.682 g·mol−1 |
| Heat of Formation | -1549.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.38 ± 1.08 D |
| Volume | 788.17 Å 3 |
| Surface Area | 583.6 Å 2 |
| HOMO Energy | -8.77 ± 0.55 eV |
| LUMO Energy | -0.64 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KCXPCPJNZYKYRZ-ROQOEKTBSA-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 |