IUPAC Name :(2S)-2-(4-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
InChI :InChI=1/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1
Std.InChI: InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1
InChIKey :NVLTYOJHPBMILU-YOVYLDAJBT
Std.InChIKey: NVLTYOJHPBMILU-YOVYLDAJSA-N
SMILES :c1cc(ccc1[C@@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
MDL: MFCD18632527
Molar Refractivity :72.71 ± 0.4 cm3 (est)
Parachor :615.7 ± 6.0 cm3 (est)
Index of Refraction :1.650 ± 0.03
(est)
Surface Tension :91.2 ± 5.0 dyne/cm (est)
Density :1.56 ± 0.1 g/cm3 (est)
Polarizability :28.82 ± 0.5 10-24cm3 (est)