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

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Formula C30H31N2O11+
IUPAC Name 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
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
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