| Melting point |
145-146℃ (ethanol ligroine ) |
| Boiling point |
795.625±60.00 °C(Press: 760.00 Torr)(predicted) |
| Density |
1.702±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| storage temp. |
−20°C |
| solubility |
DMSO (Slightly), Methanol (Slightly) |
| form |
Solid |
| pka |
12.428±0.70(predicted) |
| color |
White to Off-White |
| Water Solubility |
water: 49.00-51.00mg/mL, clear, colorless to light yellow |
| InChI |
1S/C18H25NO13/c20-5-9-11(22)12(23)14(25)18(30-9)32-16-10(6-21)31-17(15(26)13(16)24)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2 |
| InChIKey |
IAYJZWFYUSNIPN-APRLWBDKNA-N |
| SMILES |
[C@@H]1([C@H](O)[C@H]([C@@H](OC2=CC=C([N+]([O-])=O)C=C2)O[C@@H]1CO)O)O[C@@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O |&1:0,1,3,4,16,21,22,24,25,27,r| |
