5,6-dibromocholestan-3-yl tridecanoate
Chemical Structure Depiction of
5,6-dibromocholestan-3-yl tridecanoate
5,6-dibromocholestan-3-yl tridecanoate
Compound characteristics
| Compound ID: | 0242-0977 |
| Compound Name: | 5,6-dibromocholestan-3-yl tridecanoate |
| Molecular Weight: | 742.81 |
| Molecular Formula: | C40 H70 Br2 O2 |
| Smiles: | CCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2(C1)[Br])[Br])C(C)CCCC(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 13.8593 |
| logD: | 13.8593 |
| logSw: | -5.9525 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.1266 |
| InChI Key: | MPDRBMWFDJELIO-UHFFFAOYSA-N |