IUPAC Name :1,8-dihydroxy-3-methyl-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
InChI :InChI=1/C21H22O8/c1-8-5-10-14(21-20(28)19(27)17(25)13(7-22)29-21)9-3-2-4-11(23)15(9)18(26)16(10)12(24)6-8/h2-6,13-14,17,19-25,27-28H,7H2,1H3/t13-,14?,17-,19+,20-,21+/m1/s1
Std.InChI: InChI=1S/C21H22O8/c1-8-5-10-14(21-20(28)19(27)17(25)13(7-22)29-21)9-3-2-4-11(23)15(9)18(26)16(10)12(24)6-8/h2-6,13-14,17,19-25,27-28H,7H2,1H3/t13-,14?,17-,19+,20-,21+/m1/s1
InChIKey :RZCVGOHQLRNJKQ-CGISPIQUBT
Std.InChIKey: RZCVGOHQLRNJKQ-CGISPIQUSA-N
SMILES :CC1=CC(=C2C(=C1)C(C3=C(C2=O)C(=CC=C3)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Molar Refractivity :100.83 ± 0.3 cm3 (est)
Parachor :785.4 ± 6.0 cm3 (est)
Index of Refraction :1.716 ± 0.02
(est)
Surface Tension :88.1 ± 3.0 dyne/cm (est)
Density :1.569 ± 0.06 g/cm3 (est)
Polarizability :39.97 ± 0.5 10-24cm3 (est)