| Melting point |
230℃ (dec.) |
| alpha |
+142~+149 |
| Boiling point |
673.9±55.0 °C(Predicted) |
| Density |
1.882±0.06 g/cm3(Predicted) |
| storage temp. |
Sealed in dry,2-8°C |
| solubility |
DMF: 3 mg/ml; DMSO: 14 mg/ml; Ethanol: Slightly soluble; PBS (pH 7.2): 0.25 mg/ml |
| pka |
12.74±0.70(Predicted) |
| form |
White to off-white solid |
| color |
White to light yellow |
| optical activity |
[α]/D 135.0±5.0°, c = 1 in DMF/H2O 1:1 |
| InChI |
InChI=1/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11+,12+,13-,14+/s3 |
| InChIKey |
OPIFSICVWOWJMJ-ZQYXXTRKNA-N |
| SMILES |
C12C(Cl)=C(C=CC=1NC=C2O[C@@H]1[C@H](O)[C@H]([C@@H](O)[C@@H](CO)O1)O)Br |&1:11,12,14,15,17,r| |
| CAS DataBase Reference |
107021-38-5(CAS DataBase Reference) |