IUPAC Name :(10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
InChI :InChI=1/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19+,20-,21+/m1/s1
Std.InChI: InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19+,20-,21+/m1/s1
InChIKey :AFHJQYHRLPMKHU-WEZNYRQKBT
Std.InChIKey: AFHJQYHRLPMKHU-WEZNYRQKSA-N
SMILES :O=C3c1c(cc(cc1O)CO)[C@@H](c2cccc(O)c23)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO
MDL: MFCD00151160
Molar Refractivity :102.46 ± 0.3 cm3 (est)
Parachor :802.5 ± 6.0 cm3 (est)
Index of Refraction :1.740 ± 0.02
(est)
Surface Tension :99.7 ± 3.0 dyne/cm (est)
Density :1.647 ± 0.06 g/cm3 (est)
Polarizability :40.61 ± 0.5 10-24cm3 (est)