IUPAC Name :3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid
InChI :InChI=1/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19+,20-,21-/m1/s1
Std.InChI: InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19+,20-,21-/m1/s1
InChIKey :DGQLVPJVXFOQEV-NGOCYOHBBS
Std.InChIKey: DGQLVPJVXFOQEV-NGOCYOHBSA-N
SMILES :CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
MDL: MFCD00167028
Molar Refractivity :111.80 ± 0.3 cm3 (est)
Parachor :881.8 ± 6.0 cm3 (est)
Index of Refraction :1.792 ± 0.02 (est)
Surface Tension :125.6 ± 3.0 dyne/cm (est)
Density :1.869 ± 0.06 g/cm3 (est)
Polarizability :44.32 ± 0.5 10-24cm3 (est)