IUPAC Name :[(2R,3R,4R)-3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
InChI :InChI=1/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(38)42-7-18-22(37)27(26(41)44-18,45-25(40)11-5-16(32)21(36)17(33)6-11)8-43-24(39)10-3-14(30)20(35)15(31)4-10/h1-6,18,22,26,28-37,41H,7-8H2/t18-,22-,26?,27-/m1/s1
Std.InChI: InChI=1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(38)42-7-18-22(37)27(26(41)44-18,45-25(40)11-5-16(32)21(36)17(33)6-11)8-43-24(39)10-3-14(30)20(35)15(31)4-10/h1-6,18,22,26,28-37,41H,7-8H2/t18-,22-,26?,27-/m1/s1
InChIKey :AFXUNCBGZGFPOZ-MJXKLJOQBI
Std.InChIKey: AFXUNCBGZGFPOZ-MJXKLJOQSA-N
SMILES :C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@](C(O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O
Molar Refractivity :139.89 ± 0.4 cm3 (est)
Parachor :1140.4 ± 6.0 cm3 (est)
Index of Refraction :1.826 ± 0.03
(est)
Surface Tension :162.2 ± 5.0 dyne/cm (est)
Density :1.99 ± 0.1 g/cm3 (est)
Polarizability :55.45 ± 0.5 10-24cm3 (est)