IUPAC Name :(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI :InChI=1/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
Std.InChI: InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
InChIKey :VSUOKLTVXQRUSG-ZFORQUDYBE
Std.InChIKey: VSUOKLTVXQRUSG-ZFORQUDYSA-N
SMILES :C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O
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)