| Melting point |
176-177° |
| alpha |
D25 -38.33° (c = 0.43 in MeOH). |
| Boiling point |
422.5±55.0 °C(Predicted) |
| Density |
1.71±0.1 g/cm3(Predicted) |
| storage temp. |
2-8°C(protect from light) |
| solubility |
DMSO (Slightly), Methanol (Slightly) |
| form |
Solid |
| pka |
14.83±0.10(Predicted) |
| color |
White to Off-White |
| Stability |
Hygroscopic |
| InChI |
InChI=1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1 |
| InChIKey |
RXRGZNYSEHTMHC-BQBZGAKWSA-N |
| SMILES |
C1(=O)N([C@@H]2CO[C@H](CO)O2)C=CC(N)=N1 |
