Methyl (1R,4Ar,7R,7Ar)-1-(β-D-Glucopyranosyloxy)-7-Hydroxy-7-(Hydroxymethyl)-1,4A,7,7A-Tetrahydrocyclopenta[C]Pyran-4-Carboxylate

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Properties Simple | Detailed

Formula C17H24O11
IUPAC Name methyl (1r,4ar,7r,7ar)-7-hydroxy-7-(hydroxymethyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,7a-dihydro-1h-cyclopenta[c]pyran-4-carboxylate
Molecular Mass 404.366 g·mol−1
Heat of Formation -1880.5 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 440.94 Å 3
Surface Area 359.54 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
InChIKey XJMPAUZQVRGFRE-HPWCAOHFSA-N
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Elements H C O