(2S,4Ar,6R,7R,8S,8Ar)-2-(3,4-Dihydroxyphenyl)-6-(Hydroxymethyl)-8-{[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}Hexahydro-4Ah-Pyrano[2,3-B][1,4]Dioxin-7-Yl (2E)-3-(3,4-Dihydroxyphenyl)Acrylate

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Formula C29H32O15
IUPAC Name 3-[3-[[(2s,4ar,6r,7r,8s,8ar)-6-(hydroxymethyl)-2-[4-oxido-1-(2-oxidoethynyl)but-3-ynyl]-8-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2h-pyrano[2,3-b][1,4]dioxin-7-yl]oxy]-3-oxo-prop-1-ynyl]hexa-1,5-diyne-1,6-diolate
Molecular Mass 620.555 g·mol−1
Heat of Formation -2461.5 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 687.94 Å 3
Surface Area 538.16 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey FPOYEEKZOOLVJA-WLLRULDYSA-N
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