| Melting point |
180-181°C |
| Boiling point |
577.5±50.0 °C(Predicted) |
| Density |
1.56±0.1 g/cm3(Predicted) |
| storage temp. |
2-8°C |
| solubility |
DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly, Heated, Sonicated |
| form |
Solid |
| pka |
12.73±0.70(Predicted) |
| color |
White to Off-White |
| Stability |
Unstable in Solution |
| InChI |
InChI=1/C13H15NO6S/c15-5-9-10(16)11(17)12(18)13(20-9)19-8-3-1-7(2-4-8)14-6-21/h1-4,9-13,15-18H,5H2/t9-,10-,11+,12+,13+/s3 |
| InChIKey |
RWANFUZQWINQBY-HDPSNQDDSA-N |
| SMILES |
[C@H]1([C@@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O)OC1C=CC(N=C=S)=CC=1 |&1:0,1,3,4,6,r| |
| CAS DataBase Reference |
96345-79-8 |
