IUPAC Name :(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
InChI :InChI=1/C22H22O11/c1-30-21-13(32-22-19(29)18(28)17(27)15(8-23)33-22)5-3-10-16(26)14(31-20(10)21)7-9-2-4-11(24)12(25)6-9/h2-7,15,17-19,22-25,27-29H,8H2,1H3/b14-7-/t15-,17-,18+,19-,22-/m1/s1
Std.InChI: InChI=1S/C22H22O11/c1-30-21-13(32-22-19(29)18(28)17(27)15(8-23)33-22)5-3-10-16(26)14(31-20(10)21)7-9-2-4-11(24)12(25)6-9/h2-7,15,17-19,22-25,27-29H,8H2,1H3/b14-7-/t15-,17-,18+,19-,22-/m1/s1
InChIKey :NXOKVARAWXQHGX-JPNDPKSOBQ
Std.InChIKey: NXOKVARAWXQHGX-JPNDPKSOSA-N
SMILES :COC1=C(C=CC2=C1O/C(=C\C3=CC(=C(C=C3)O)O)/C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Molar Refractivity :112.34 ± 0.3 cm3 (est)
Parachor :872.5 ± 6.0 cm3 (est)
Index of Refraction :1.728 ± 0.02
(est)
Surface Tension :91.9 ± 3.0 dyne/cm (est)
Density :1.640 ± 0.06 g/cm3 (est)
Polarizability :44.53 ± 0.5 10-24cm3 (est)