(1R)-1,5-Anhydro-2,6-Dideoxy-1-[2-(3,4-Dihydroxyphenyl)-7-(β-D-Glucopyranosyloxy)-5-Hydroxy-4-Oxo-4H-Chromen-6-Yl]-D-Xylo-Hexitol

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Properties Simple | Detailed

Formula C27H31O14+
IUPAC Name 6-[(2r,4s,5r,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 579.527 g·mol−1
Heat of Formation -2372.5 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 610.04 Å 3
Surface Area 471.35 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
InChIKey UKNXXFWLEJRJCY-NCJQNZQYSA-N
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