2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-4H-Chromen-3-Yl 6-O-(Carboxyacetyl)-2-O-(6-Deoxy-β-D-Gulopyranosyl)-β-D-Allopyranoside

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Properties Simple | Detailed

Formula C30H32O19
IUPAC Name 3-[[(2r,3s,4r,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-3,4-dihydroxy-5-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]-3-oxo-propanoic acid
Molecular Mass 696.564 g·mol−1
Heat of Formation -3147.2 ± 16.7 kJ·mol−1
Dipole Moment 5.46 ± 1.08 D
Volume 736.93 Å 3
Surface Area 541.79 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 1.87 ± eV
Point Group Symmetry C1
InChIKey NTHFGJOIFSTXSI-ZWPSWUNVSA-N
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