IUPAC Name :[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxypent-4-enimidothioate
InChI :InChI=1/C11H19NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)/b12-7+/t6-,8-,9+,10-,11+/m1/s1
Std.InChI: InChI=1S/C11H19NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)/b12-7+/t6-,8-,9+,10-,11+/m1/s1
InChIKey :PLYQBXHVYUJNQB-BZVDQRPCBH
Std.InChIKey: PLYQBXHVYUJNQB-BZVDQRPCSA-N
SMILES :C=CCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Molar Refractivity :78.16 ± 0.5 cm3 (est)
Parachor :633.8 ± 8.0 cm3 (est)
Index of Refraction :1.631 ± 0.05
(est)
Surface Tension :69.8 ± 7.0 dyne/cm (est)
Density :1.70 ± 0.1 g/cm3 (est)
Polarizability :30.98 ± 0.5 10-24cm3 (est)