IUPAC Name :4-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
InChI :InChI=1/C16H22O8/c1-8(18)2-3-9-4-5-10(19)11(6-9)23-16-15(22)14(21)13(20)12(7-17)24-16/h4-6,12-17,19-22H,2-3,7H2,1H3/t12-,13-,14+,15-,16-/m1/s1
Std.InChI: InChI=1S/C16H22O8/c1-8(18)2-3-9-4-5-10(19)11(6-9)23-16-15(22)14(21)13(20)12(7-17)24-16/h4-6,12-17,19-22H,2-3,7H2,1H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey :LMPCSMHAJDXHSV-IBEHDNSVBR
Std.InChIKey: LMPCSMHAJDXHSV-IBEHDNSVSA-N
SMILES :CC(=O)CCC1=CC(=C(C=C1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Molar Refractivity :82.68 ± 0.3 cm3 (est)
Parachor :673.4 ± 4.0 cm3 (est)
Index of Refraction :1.611 ± 0.02
(est)
Surface Tension :64.2 ± 3.0 dyne/cm (est)
Density :1.439 ± 0.06 g/cm3 (est)
Polarizability :32.77 ± 0.5 10-24cm3 (est)