| Melting point |
191-194°C (dec.) |
| Boiling point |
683.9±55.0 °C(Predicted) |
| Density |
1.45±0.1 g/cm3(Predicted) |
| storage temp. |
Hygroscopic, -20°C Freezer, Under inert atmosphere |
| solubility |
Aqueous Acid (Slightly), Aqueous Base (Slightly), DMSO (Slightly, Heated, Sonica |
| form |
Solid |
| pka |
2.44±0.50(Predicted) |
| color |
White to Off-White |
| Stability |
Hygroscopic |
| InChI |
InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10+,11-,14+/m0/s1 |
| InChIKey |
AVKUERGKIZMTKX-BBGACYKPSA-N |
| SMILES |
N12[C@@]([H])([C@H](NC([C@@H](N)C3=CC=CC=C3)=O)C1=O)SC(C)(C)[C@@H]2C(O)=O |
