2-(3,4-Dihydroxyphenyl)Ethyl 3-O-(6-Deoxy-α-D-Mannopyranosyl)-4-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]-Beta-D-Glucopyranoside

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Properties Simple | Detailed

Formula C29H36O15
IUPAC Name [(2r,3r,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 624.587 g·mol−1
Heat of Formation -2537.1 ± 16.7 kJ·mol−1
Dipole Moment 7.22 ± 1.08 D
Volume 701.34 Å 3
Surface Area 589.45 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
InChIKey FBSKJMQYURKNSU-QYBPYJDPSA-N
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Elements H C O