| Melting point |
120 °C(Solv: ethyl ether (60-29-7); methanol (67-56-1)) |
| Boiling point |
721.0±70.0 °C(Predicted) |
| Density |
1.98±0.1 g/cm3(Predicted) |
| storage temp. |
Hygroscopic, -20°C Freezer, Under inert atmosphere |
| solubility |
DMSO (Slightly), Methanol (Very Slightly), Water (Slightly) |
| form |
Solid |
| pka |
13.07±0.70(Predicted) |
| color |
White to Pale Yellow |
| Water Solubility |
Water : 2 mg/mL (6.73 mM; Need ultrasonic and warming) |
| InChI |
InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-/m1/s1 |
| InChIKey |
IXOXBSCIXZEQEQ-KQYNXXCUSA-N |
| SMILES |
OC[C@H]1O[C@@H](N2C3=C(C(=NC(=N3)N)OC)N=C2)[C@H](O)[C@@H]1O |
