(8Xi,9Xi,11α,14Xi)-3,20-Dioxopregn-4-En-11-Yl Beta-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C27H76O9
IUPAC Name acetaldehyde; carbanide; carbon; 1-cyclopropylbut-3-en-2-one; ethane; hydron; λ1-carbane; λ2-carbane; (z)-1-methanidyloxyprop-1-ene; 2-methylpent-1-ene; pentahydroxide; hydrate
Molecular Mass 554.966 g·mol−1
Heat of Formation -1225.2 ± 16.7 kJ·mol−1
Dipole Moment 7.71 ± 1.08 D
Volume 584.19 Å 3
Surface Area 441.44 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.92 ± eV
Point Group Symmetry C1
InChIKey WVTMNZAPPOMZST-VAIDMWLKSA-N
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