IUPAC Name :[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate
InChI :InChI=1/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/b18-13-/t12-,14-,15+,16-,17+/m1/s1
Std.InChI: InChI=1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/b18-13-/t12-,14-,15+,16-,17+/m1/s1
InChIKey :PKKMITFKYRCCOL-JMZFCNQTBS
Std.InChIKey: PKKMITFKYRCCOL-JMZFCNQTSA-N
SMILES :CON1C=C(C2=CC=CC=C21)C/C(=N/OS(=O)(=O)O)/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Molar Refractivity :106.06 ± 0.5 cm3 (est)
Parachor :809.1 ± 8.0 cm3 (est)
Index of Refraction :1.695 ± 0.05
(est)
Surface Tension :74.0 ± 7.0 dyne/cm (est)
Density :1.73 ± 0.1 g/cm3 (est)
Polarizability :42.04 ± 0.5 10-24cm3 (est)