(1S,4As,7S,7Ar)-1-(β-D-Glucopyranosyloxy)-7-Methyl-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-4-Carboxylic Acid

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Formula C16H24O9
IUPAC Name (1s,4as,7s,7ar)-7-methyl-1-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
Molecular Mass 360.356 g·mol−1
Heat of Formation -1679.8 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 407.81 Å 3
Surface Area 346.59 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
InChIKey DSXFHNSGLYXPNG-BMQDUGJFSA-N
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Elements H C O