4-Hydroxy-3-(1,3,6,8-Tetrahydroxy-9,10-Dioxo-9,10-Dihydro-2-Anthracenyl)Butyl Acetate

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Properties Simple | Detailed

Formula C20H18O9
IUPAC Name [(3r)-4-hydroxy-3-(1,3,6,8-tetrahydroxy-9,10-dioxo-2-anthryl)butyl] acetate
Molecular Mass 402.352 g·mol−1
Heat of Formation -1497.0 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 431.74 Å 3
Surface Area 369.78 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -2.03 ± eV
Point Group Symmetry C1
InChIKey BWYUKBCRHDFWFF-VIFPVBQESA-N
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Elements H C O