(3R,4As,5R,6S)-3-[(4S)-4-Hydroxy-8-(4-Hydroxyphenyl)-2,6-Dioxooctyl]-1-Oxo-5-Vinyl-4,4A,5,6-Tetrahydro-1H,3H-Pyrano[3,4-C]Pyran-6-Yl β-D-Glucopyranoside

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Formula C30H38O13
IUPAC Name (2r,3r,4r,5r,6s)-6-[[(3r,4as,5s,6s)-3-[(4s)-4-oxido-8-(4-oxidobenzene-2,3,5,6-tetraid-1-yl)-2,6-dioxo-octyl]-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-3h-pyrano[3,4-c]pyran-6-yl]oxy]-4,5-dihydroxy-2-(oxidomethyl)tetrahydropyran-3-olate
Molecular Mass 606.615 g·mol−1
Heat of Formation -2201.6 ± 16.7 kJ·mol−1
Dipole Moment 10.40 ± 1.08 D
Volume 713.8 Å 3
Surface Area 525.45 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
InChIKey NRVMYJKCFMJRML-PRJVYYJUSA-N
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