IUPAC Name :4-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
InChI :InChI=1/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1
Std.InChI: InChI=1S/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey :IDONYWHRKBUDOR-IBEHDNSVBS
Std.InChIKey: IDONYWHRKBUDOR-IBEHDNSVSA-N
SMILES :O=C(C)CCc2ccc(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)cc2
Molar Refractivity :80.80 ± 0.3 cm3 (est)
Parachor :658.4 ± 4.0 cm3 (est)
Index of Refraction :1.589 ± 0.02
(est)
Surface Tension :57.1 ± 3.0 dyne/cm (est)
Density :1.362 ± 0.06 g/cm3 (est)
Polarizability :32.03 ± 0.5 10-24cm3 (est)