IUPAC Name :(Z,4E)-4-[cyano-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylidene]hex-2-enedioic acid
InChI :InChI=1/C14H17NO10/c15-4-7(6(3-10(19)20)1-2-9(17)18)24-14-13(23)12(22)11(21)8(5-16)25-14/h1-2,8,11-14,16,21-23H,3,5H2,(H,17,18)(H,19,20)/b2-1-,7-6-/t8-,11-,12+,13-,14-/m1/s1
Std.InChI: InChI=1S/C14H17NO10/c15-4-7(6(3-10(19)20)1-2-9(17)18)24-14-13(23)12(22)11(21)8(5-16)25-14/h1-2,8,11-14,16,21-23H,3,5H2,(H,17,18)(H,19,20)/b2-1-,7-6-/t8-,11-,12+,13-,14-/m1/s1
InChIKey :LABCALMTQNDOAI-PKNBYVPABV
Std.InChIKey: LABCALMTQNDOAI-PKNBYVPASA-N
SMILES :C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O/C(=C(\CC(=O)O)/C=C\C(=O)O)/C#N)O)O)O)O
Molar Refractivity :76.94 ± 0.4 cm3 (est)
Parachor :681.3 ± 6.0 cm3 (est)
Index of Refraction :1.635 ± 0.03
(est)
Surface Tension :101.2 ± 5.0 dyne/cm (est)
Density :1.67 ± 0.1 g/cm3 (est)
Polarizability :30.50 ± 0.5 10-24cm3 (est)