(1R)-1,5-Anhydro-2,6-Dideoxy-3-O-{(2S,5S,6S)-5-[(2,6-Dideoxy-β-D-Arabino-Hexopyranosyl)Oxy]-6-Methyltetrahydro-2H-Pyran-2-Yl}-1-(1,6,10-Trihydroxy-8-Methyl-5,12-Dioxo-5,12-Dihydro-2-Tetracenyl)-D-Arabino-Hexitol

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Properties Simple | Detailed

Formula C21H14O13
IUPAC Name 2-methylene-4-[(6-methylene-5-oxo-2h-pyran-2-yl)oxy]-6-(3-oxopropa-1,2-dienylidene)tetrahydropyran-3-one; 2-methylenepyran-3,4-dione; molecular oxygen
Molecular Mass 474.328 g·mol−1
Heat of Formation -2241.9 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 780.6 Å 3
Surface Area 646.69 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry C1
InChIKey WIJGEWVJMHOFER-SYMDADATSA-N
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Elements H C O