IUPAC Name :1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
InChI :InChI=1/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1
Std.InChI: InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1
InChIKey :HSWIRQIYASIOBE-JNHRPPPUBC
Std.InChIKey: HSWIRQIYASIOBE-JNHRPPPUSA-N
SMILES :CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Molar Refractivity :102.96 ± 0.3 cm3 (est)
Parachor :811.2 ± 6.0 cm3 (est)
Index of Refraction :1.725 ± 0.02
(est)
Surface Tension :95.8 ± 3.0 dyne/cm (est)
Density :1.667 ± 0.06 g/cm3 (est)
Polarizability :40.81 ± 0.5 10-24cm3 (est)