2-[(5R,11As)-2,4-Dihydroxy-3,11A-Bis[(1S)-1-Methylpropyl]-5-Oxido-1-Oxo-Pyrazino[1,2-B][1,4,2]Benzodioxazin-5-Ium-9-Yl]-3,6-Dihydroxy-5-(4-Hydroxyphenyl)-1,4-Benzoquinone
Properties
Property | Value |
---|---|
Formula | C30H31N2O11+ |
IUPAC Name | 2-[(11as)-2,4,5-trihydroxy-3,11a-bis[(1s)-1-methylpropyl]-1-oxo-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 | -1091.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.90 ± 1.08 D |
Volume | 654.33 Å 3 |
Surface Area | 521.87 Å 2 |
HOMO Energy | -8.93 ± 0.55 eV |
LUMO Energy | 1.05 ± eV |
Point Group Symmetry | C1 |
InChIKey | ISEOSFMOXZUANI-FFVWIXTISA-O |
QR Code | Generate QR Code |
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Elements | H C O N |