(2S,3S,4S,6R,2'S,3'S,4'S,6'R)-N,N'-[1,4-Phenylenebis(Methylene)]Bis(6-{[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl]Oxy}-4-Hydroxy-2-Methyltetrahydro-2H-Pyran-3-Aminium)

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Formula C62H62N2O20
IUPAC Name (2r)-2-acetyl-2,4,11-trihydroxy-6-methoxy-3-methylene-1h-cyclopenta[b]anthracene-5,10-dione; but-3-ynal; 1,4-dihydroxy-3-(2-hydroxy-1-methyl-3-oxo-butyl)-8-methoxy-9,10-dioxo-anthracene-2-carbaldehyde; ethylene; hydron; (4-methanimidoylcyclohexa-1,4-dien-1-yl)methylazanide; (2r)-2-vinyl-1,3-dioxin-4-one; hydrate
Molecular Mass 1165.236 g·mol−1
Heat of Formation -2876.6 ± 16.7 kJ·mol−1
Dipole Moment 22.89 ± 1.08 D
Volume 1438.01 Å 3
Surface Area 995.3 Å 2
HOMO Energy -6.58 ± 0.55 eV
LUMO Energy -2.11 ± eV
Point Group Symmetry C1
InChIKey CRXRBKHVHUKITD-MJSRGEEMSA-P
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