IUPAC Name :(2R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
InChI :InChI=1/C24H26O13/c25-10-18-20(30)21(31)22(32)24(37-18)36-16-5-2-12(8-15(16)28)9-17(23(33)34)35-19(29)6-3-11-1-4-13(26)14(27)7-11/h1-8,17-18,20-22,24-28,30-32H,9-10H2,(H,33,34)/b6-3+/t17-,18-,20-,21+,22-,24-/m1/s1
Std.InChI: InChI=1S/C24H26O13/c25-10-18-20(30)21(31)22(32)24(37-18)36-16-5-2-12(8-15(16)28)9-17(23(33)34)35-19(29)6-3-11-1-4-13(26)14(27)7-11/h1-8,17-18,20-22,24-28,30-32H,9-10H2,(H,33,34)/b6-3+/t17-,18-,20-,21+,22-,24-/m1/s1
InChIKey :GBPUVZAXOLYUDN-PRFRQLEPBY
Std.InChIKey: GBPUVZAXOLYUDN-PRFRQLEPSA-N
SMILES :C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Molar Refractivity :125.17 ± 0.3 cm3 (est)
Parachor :980.5 ± 4.0 cm3 (est)
Index of Refraction :1.706 ± 0.02
(est)
Surface Tension :86.5 ± 3.0 dyne/cm (est)
Density :1.625 ± 0.06 g/cm3 (est)
Polarizability :49.62 ± 0.5 10-24cm3 (est)