IUPAC Name :8-hydroxy-3-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
InChI :InChI=1/C21H20O9/c1-8-5-10-15(18(26)14-9(16(10)24)3-2-4-11(14)23)12(6-8)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1
Std.InChI: InChI=1S/C21H20O9/c1-8-5-10-15(18(26)14-9(16(10)24)3-2-4-11(14)23)12(6-8)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1
InChIKey :QKPDYSSHOSPOKH-JNHRPPPUBW
Std.InChIKey: QKPDYSSHOSPOKH-JNHRPPPUSA-N
SMILES :CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Molar Refractivity :101.08 ± 0.3 cm3 (est)
Parachor :796.0 ± 6.0 cm3 (est)
Index of Refraction :1.702 ± 0.02
(est)
Surface Tension :86.7 ± 3.0 dyne/cm (est)
Density :1.596 ± 0.06 g/cm3 (est)
Polarizability :40.07 ± 0.5 10-24cm3 (est)