IUPAC Name :[(2S,3R,4S,5R,6S)-6-[4-(cyanomethyl)phenoxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate
InChI :InChI=1/C16H19NO6/c1-9-15(22-10(2)18)13(19)14(20)16(21-9)23-12-5-3-11(4-6-12)7-8-17/h3-6,9,13-16,19-20H,7H2,1-2H3/t9-,13-,14+,15-,16-/m0/s1
Std.InChI: InChI=1S/C16H19NO6/c1-9-15(22-10(2)18)13(19)14(20)16(21-9)23-12-5-3-11(4-6-12)7-8-17/h3-6,9,13-16,19-20H,7H2,1-2H3/t9-,13-,14+,15-,16-/m0/s1
InChIKey :QSGQMXJNFWYWMM-QOYUQHOEBR
Std.InChIKey: QSGQMXJNFWYWMM-QOYUQHOESA-N
SMILES :C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CC#N)O)O)OC(=O)C
Molar Refractivity :79.24 ± 0.4 cm3 (est)
Parachor :672.4 ± 6.0 cm3 (est)
Index of Refraction :1.568 ± 0.03
(est)
Surface Tension :59.6 ± 5.0 dyne/cm (est)
Density :1.32 ± 0.1 g/cm3 (est)
Polarizability :31.41 ± 0.5 10-24cm3 (est)