1-O-{[(3Ar,5As)-1,7,7-Trimethyl-1,2,3,3A,5A,6,7,8-Octahydrocyclopenta[C]Pentalen-4-Yl]Carbonyl}-α-D-Glucopyranuronic Acid

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Properties Simple | Detailed

Formula C21H30O8
IUPAC Name (2s,3s,4s,5r,6r)-6-[(3ar,5as)-1,7,7-trimethyl-2,3,3a,5a,6,8-hexahydro-1h-cyclopenta[h]pentalene-4-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Mass 410.458 g·mol−1
Heat of Formation -1556.1 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 484.52 Å 3
Surface Area 372.55 Å 2
HOMO Energy -10.30 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey BFYOGFPGIVIQCC-BVLFZEPGSA-N
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