IUPAC Name :7-hydroxy-7-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
InChI :InChI=1/C25H28O13/c26-9-16-19(29)20(30)21(31)24(37-16)38-23-18-14(15(10-35-23)22(32)33)7-8-25(18,34)11-36-17(28)6-3-12-1-4-13(27)5-2-12/h1-8,10,14,16,18-21,23-24,26-27,29-31,34H,9,11H2,(H,32,33)/b6-3+/t14?,16-,18?,19-,20+,21-,23?,24+,25?/m1/s1
Std.InChI: InChI=1S/C25H28O13/c26-9-16-19(29)20(30)21(31)24(37-16)38-23-18-14(15(10-35-23)22(32)33)7-8-25(18,34)11-36-17(28)6-3-12-1-4-13(27)5-2-12/h1-8,10,14,16,18-21,23-24,26-27,29-31,34H,9,11H2,(H,32,33)/b6-3+/t14?,16-,18?,19-,20+,21-,23?,24+,25?/m1/s1
InChIKey :WJPRKOJNQIZCGY-DOCWKGGNBY
Std.InChIKey: WJPRKOJNQIZCGY-DOCWKGGNSA-N
SMILES :C1=CC(C2C1C(=COC2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)(COC(=O)/C=C/C4=CC=C(C=C4)O)O
Molar Refractivity :125.88 ± 0.4 cm3 (est)
Parachor :1024.5 ± 6.0 cm3 (est)
Index of Refraction :1.695 ± 0.03
(est)
Surface Tension :96.0 ± 5.0 dyne/cm (est)
Density :1.63 ± 0.1 g/cm3 (est)
Polarizability :49.90 ± 0.5 10-24cm3 (est)