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

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Properties Simple | Detailed

Formula C29H36O16
IUPAC Name [(2r,3s,4r,5r,6r)-6-[(2r)-2-(3,4-dihydroxyphenyl)-2-hydroxy-ethoxy]-4,5-dihydroxy-2-[[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 640.587 g·mol−1
Heat of Formation -2668.5 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 708.4 Å 3
Surface Area 578.45 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey IAXBXCJUSPUULA-OLUAFTSTSA-N
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Elements H C O