IUPAC Name :[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate
InChI :InChI=1/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8+,9-,10+/m1/s1
Std.InChI: InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8+,9-,10+/m1/s1
InChIKey :PHZOWSSBXJXFOR-PTGZALFTBF
Std.InChIKey: PHZOWSSBXJXFOR-PTGZALFTSA-N
SMILES :O=S(=O)(O)O\N=C(\S[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C\C=C
Molar Refractivity :73.55 ± 0.5 cm3 (est)
Parachor :595.2 ± 8.0 cm3 (est)
Index of Refraction :1.643 ± 0.05
(est)
Surface Tension :73.6 ± 7.0 dyne/cm (est)
Density :1.76 ± 0.1 g/cm3 (est)
Polarizability :29.15 ± 0.5 10-24cm3 (est)