(1As,1Bs,2S,5Ar,6S,6As)-2-(β-D-Glucopyranosyloxy)-1A-(Hydroxymethyl)-1A,1B,2,5A,6,6A-Hexahydrooxireno[4,5]Cyclopenta[1,2-C]Pyran-6-Yl (2E)-3-(3,4-Dihydroxyphenyl)Acrylate

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Formula C24H28O13
IUPAC Name [(1as,1br,2r,5as,6s,6as)-1a-(hydroxymethyl)-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,5a,6,6a-tetrahydro-1bh-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 524.471 g·mol−1
Heat of Formation -1950.2 ± 16.7 kJ·mol−1
Dipole Moment 6.28 ± 1.08 D
Volume 568.16 Å 3
Surface Area 404.59 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
InChIKey MZQXNUBTVLKMLP-LYWJIJSWSA-N
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