docetaxel
- CAS:
- Other names:
- SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 807.88 | 15 | 5 | 3.65 | 224.44999999999996 | 12 | 168 | 0.56 | C43H53NO14 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C50 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [hexavalent b-CD dimer-polymannoside conjugate](2).[docetaxel] | 5.18 | 7.0 | 25.0 | Phase Solubility studies | Carmen Ortiz Mellet 2004 | |
| [hexavalent b-CD-glycodendrimer conjugates](1).[docetaxel] | 3.60 | 7.0 | 25.0 | Phase Solubility studies | Carmen Ortiz Mellet 2004 | |