IUPAC Name :(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI :InChI=1/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
Std.InChI: InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
InChIKey :DJSISFGPUUYILV-ZFORQUDYBK
Std.InChIKey: DJSISFGPUUYILV-ZFORQUDYSA-N
SMILES :O=C3\C=C(/Oc2cc(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c(O)c(O)c23)c4ccc(O)cc4
Molar Refractivity :105.43 ± 0.3 cm3 (est)
Parachor :834.2 ± 6.0 cm3 (est)
Index of Refraction :1.763 ± 0.02
(est)
Surface Tension :113.9 ± 3.0 dyne/cm (est)
Density :1.810 ± 0.06 g/cm3 (est)
Polarizability :41.79 ± 0.5 10-24cm3 (est)