IUPAC Name :methyl (1S,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
InChI :InChI=1/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13?,15-,17+/m1/s1
Std.InChI: InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13?,15-,17+/m1/s1
InChIKey :MZNIJRAPCCELQX-YYBVPDOUBH
Std.InChIKey: MZNIJRAPCCELQX-YYBVPDOUSA-N
SMILES :O=C(OC1C[C@](O)(C(=O)OC)C[C@@H](O)[C@H]1O)\C=C\c2ccc(O)c(O)c2
Molar Refractivity :86.87 ± 0.4 cm3 (est)
Parachor :725.1 ± 6.0 cm3 (est)
Index of Refraction :1.645 ± 0.03
(est)
Surface Tension :84.1 ± 5.0 dyne/cm (est)
Density :1.53 ± 0.1 g/cm3 (est)
Polarizability :34.43 ± 0.5 10-24cm3 (est)