5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-3-Yl 4-O-(6-O-Acetyl-β-D-Glucopyranosyl)-6-Deoxy-Alpha-L-Mannopyranoside

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Properties Simple | Detailed

Formula C29H33O16+
IUPAC Name [(2r,3s,4s,5r,6s)-6-[(2r,3r,4s,5r,6s)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl acetate
Molecular Mass 637.563 g·mol−1
Heat of Formation -2595.8 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 688.72 Å 3
Surface Area 539.98 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey KXOPSQZLBRPJGX-AQBOYRAASA-N
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