isosalipurposide

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IUPAC Name :(E)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
InChI :InChI=1/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-8,16,18-24,26-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1
Std.InChI: InChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-8,16,18-24,26-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1
InChIKey :WQCWELFQKXIPCN-JSYAWONVBY
Std.InChIKey: WQCWELFQKXIPCN-JSYAWONVSA-N
SMILES :C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
Molar Refractivity :108.46 ± 0.3 cm3 (est)
Parachor :825.9 ± 4.0 cm3 (est)
Index of Refraction :1.728 ± 0.02 (est)
Surface Tension :84.7 ± 3.0 dyne/cm (est)
Density :1.595 ± 0.06 g/cm3 (est)
Polarizability :42.99 ± 0.5 10-24cm3 (est)