[2-Acetoxy-3-[(5S,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
Properties
| Property | Value |
|---|---|
| Formula | C35H39N2O13+ |
| IUPAC Name | [2-acetoxy-3-[(5s,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 | 695.690 g·mol−1 |
| Heat of Formation | -1607.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.08 ± 1.08 D |
| Volume | 784.81 Å 3 |
| Surface Area | 585.36 Å 2 |
| HOMO Energy | -8.61 ± 0.55 eV |
| LUMO Energy | 1.96 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QMQCMPAHEMYYAL-OELYMAMWSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |