IUPAC Name :(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
InChI :InChI=1/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
Std.InChI: InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
InChIKey :ZJDOESGVOWAULF-OGJQONSIBO
Std.InChIKey: ZJDOESGVOWAULF-OGJQONSISA-N
SMILES :C1C=C([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO
MDL: MFCD00210294
Molar Refractivity :83.74 ± 0.4 cm3 (est)
Parachor :702.1 ± 6.0 cm3 (est)
Index of Refraction :1.659 ± 0.03
(est)
Surface Tension :91.6 ± 5.0 dyne/cm (est)
Density :1.64 ± 0.1 g/cm3 (est)
Polarizability :33.19 ± 0.5 10-24cm3 (est)