IUPAC Name :(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
InChI :InChI=1/C21H22O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-27,29-30H,6H2/t13-,15-,17+,18-,19-,20+,21+/m1/s1
Std.InChI: InChI=1S/C21H22O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-27,29-30H,6H2/t13-,15-,17+,18-,19-,20+,21+/m1/s1
InChIKey :FVQOMEDMFUMIMO-UTZHSPHRBC
Std.InChIKey: FVQOMEDMFUMIMO-UTZHSPHRSA-N
SMILES :C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
Molar Refractivity :106.48 ± 0.4 cm3 (est)
Parachor :858.1 ± 6.0 cm3 (est)
Index of Refraction :1.773 ± 0.03
(est)
Surface Tension :127.5 ± 5.0 dyne/cm (est)
Density :1.82 ± 0.1 g/cm3 (est)
Polarizability :42.21 ± 0.5 10-24cm3 (est)