linamarin

Right Click Jmol Molecule For More Options. Jmol is a free download found Here.
IUPAC Name :2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile
InChI :InChI=1/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1
Std.InChI: InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1
InChIKey :QLTCHMYAEJEXBT-ZEBDFXRSBH
Std.InChIKey: QLTCHMYAEJEXBT-ZEBDFXRSSA-N
SMILES :CC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
MDL: MFCD00036209
Molar Refractivity :55.76 ± 0.4 cm3 (est)
Parachor :505.1 ± 6.0 cm3 (est)
Index of Refraction :1.549 ± 0.03 (est)
Surface Tension :69.1 ± 5.0 dyne/cm (est)
Density :1.41 ± 0.1 g/cm3 (est)
Polarizability :22.10 ± 0.5 10-24cm3 (est)