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

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Properties Simple | Detailed

Formula C27H38O9
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 506.585 g·mol−1
Heat of Formation 2665.7 ± 16.7 kJ·mol−1
Dipole Moment 7.64 ± 1.08 D
Volume 510.48 Å 3
Surface Area 396.92 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy -2.42 ± eV
Point Group Symmetry C1
InChIKey WVTMNZAPPOMZST-VAIDMWLKSA-N
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