IUPAC Name :(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxane-2-carboxylic acid
InChI :InChI=1/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8?,9?,10?,11-,12-,13-,14+,16-/m0/s1
Std.InChI: InChI=1S/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8?,9?,10?,11-,12-,13-,14+,16-/m0/s1
InChIKey :CLJGMBYGTHRUNF-BCLUXSHWBG
Std.InChIKey: CLJGMBYGTHRUNF-BCLUXSHWSA-N
SMILES :CC1CCC(C(C1)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O)O)O)C(C)C
Molar Refractivity :81.58 ± 0.4 cm3 (est)
Parachor :707.4 ± 6.0 cm3 (est)
Index of Refraction :1.541 ± 0.03
(est)
Surface Tension :55.4 ± 5.0 dyne/cm (est)
Density :1.28 ± 0.1 g/cm3 (est)
Polarizability :32.34 ± 0.5 10-24cm3 (est)