InChI :InChI=1/C60H56N2O13/c1-19(2)33-27-14-25(11)39(50(67)41(27)31(17-61)48(65)51(33)68)40-26(12)15-29-35(21(5)6)53(70)56(73)46-44(29)58(40)75-60-45-43-28(34(20(3)4)52(69)55(45)72)13-23(9)37(57(43)74-59(46)62-60)30-16-24(10)38-36(22(7)8)54(71)49(66)32(18-63)42(38)47(30)64/h13-22,62,64,66-71H,61H2,1-12H3
Std.InChI: InChI=1S/C60H56N2O13/c1-19(2)33-27-14-25(11)39(50(67)41(27)31(17-61)48(65)51(33)68)40-26(12)15-29-35(21(5)6)53(70)56(73)46-44(29)58(40)75-60-45-43-28(34(20(3)4)52(69)55(45)72)13-23(9)37(57(43)74-59(46)62-60)30-16-24(10)38-36(22(7)8)54(71)49(66)32(18-63)42(38)47(30)64/h13-22,62,64,66-71H,61H2,1-12H3
InChIKey :ZQJPWFPCTVUUEQ-LJUMEUDFBP
Std.InChIKey: ZQJPWFPCTVUUEQ-LJUMEUDFSA-N
SMILES :CC1=C(C2=C3C(=C1)C(=C(C(=O)C3=C4NC(=C5C6=C(O4)C(=C(C=C6C(=C(C5=O)O)C(C)C)C)C7=C(C=C8C(=C7O)C(=CN)C(=O)C(=C8C(C)C)O)C)O2)O)C(C)C)C9=CC(=C1C(=C9O)C(=C(C(=C1C(C)C)O)O)C=O)C
Molar Refractivity :275.34 ± 0.4 cm3 (est)
Parachor :2051.1 ± 6.0 cm3 (est)
Index of Refraction :1.769 ± 0.03
(est)
Surface Tension :91.5 ± 5.0 dyne/cm (est)
Density :1.52 ± 0.1 g/cm3 (est)
Polarizability :109.15 ± 0.5 10-24cm3 (est)