IUPAC Name :(1R,3R,4S,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid
InChI :InChI=1/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11+,14-/m1/s1
Std.InChI: InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11+,14-/m1/s1
InChIKey :LDPLFHGGZNSKDS-AOGLXQGOBN
Std.InChIKey: LDPLFHGGZNSKDS-AOGLXQGOSA-N
SMILES :C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O
Molar Refractivity :74.39 ± 0.4 cm3 (est)
Parachor :629.2 ± 6.0 cm3 (est)
Index of Refraction :1.733 ± 0.03
(est)
Surface Tension :131.7 ± 5.0 dyne/cm (est)
Density :1.85 ± 0.1 g/cm3 (est)
Polarizability :29.49 ± 0.5 10-24cm3 (est)