Eribulin intermediate
- Product NameEribulin intermediate
- CAS157322-47-9
- MFC21H35IO4
- MW478.41
- EINECS
- MOL File157322-47-9.mol
Chemical Properties
| Boiling point | 491.8±45.0 °C(Predicted) |
| Density | 1.27±0.1 g/cm3(Predicted) |
| storage temp. | -20°C, stored under nitrogen |
| pka | 14.89±0.20(Predicted) |
| Appearance | Colorless to light yellow Liquid |
| InChI | InChI=1/C21H35IO4/c1-14(16(3)22)12-17(23)9-10-19-15(2)13-18(26-19)8-7-11-25-20(24)21(4,5)6/h14,17-19,23H,2-3,7-13H2,1,4-6H3/t14-,17-,18+,19+/s3 |
| InChIKey | BATPHVGPKRJKIK-DJOQLSLINA-N |
| SMILES | C([C@H]1C(C[C@H](CCCOC(=O)C(C)(C)C)O1)=C)C[C@@H](O)C[C@@H](C)C(I)=C |&1:1,4,18,21,r| |
