| Melting point |
248-251 °C(lit.) |
| alpha |
-21°(19℃, c=4, H2O) |
| Boiling point |
456.3±55.0 °C(Predicted) |
| Density |
2.01±0.1 g/cm3(Predicted) |
| refractive index |
-20 ° (C=4, H2O) |
| storage temp. |
-20°C |
| solubility |
DMSO:2.0(Max Conc. mg/mL);8.84(Max Conc. mM)
PBS (pH:7.2):1.0(Max Conc. mg/mL);4.42(Max Conc. mM) |
| form |
powder to crystal |
| pka |
12.55±0.40(Predicted) |
| color |
White to Almost white |
| optical activity |
[α]19/D 21°, c = 4 in H2O |
| InChI |
InChI=1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1 |
| InChIKey |
UUGITDASWNOAGG-CCXZUQQUSA-N |
| SMILES |
C12O[C@@]3([H])[C@H](O)[C@@H](CO)O[C@@]3([H])N1C=CC(=O)N=2 |
| CAS DataBase Reference |
3736-77-4 |
