IUPAC Name :(2R,3R,4R,5S,6R)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI :InChI=1/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m1/s1
Std.InChI: InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m1/s1
InChIKey :FNTJVYCFNVUBOL-BJQFSTQPBV
Std.InChIKey: FNTJVYCFNVUBOL-BJQFSTQPSA-N
SMILES :O=C2C(\O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)=C(/Oc3cc(O)cc(O)c23)c4ccc(O)cc4
MDL: MFCD04039813
Molar Refractivity :104.57 ± 0.4 cm3 (est)
Parachor :832.3 ± 6.0 cm3 (est)
Index of Refraction :1.788 ± 0.03
(est)
Surface Tension :128.5 ± 5.0 dyne/cm (est)
Density :1.87 ± 0.1 g/cm3 (est)
Polarizability :41.45 ± 0.5 10-24cm3 (est)