(8Xi,9Xi,14Xi)-3,17-Dioxoandrost-4-En-4-Yl β-D-Glucopyranosiduronic Acid

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Formula C25H72O9
IUPAC Name carbon; ethane; ethenol; (e)-hept-3-ene; hydron; λ1-carbane; λ2-carbane; oxygen; 2h-pyran-2-ylium-4-ide-3,4,5,6-tetrol; hydroxide; hydrate
Molecular Mass 527.921 g·mol−1
Heat of Formation -1161.0 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 559.26 Å 3
Surface Area 417.42 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
InChIKey JIKFCHILHFFTSH-LLWFWGFZSA-N
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