cholate
- CAS:
- Other names:
- SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 408.57 | 5 | 4 | 3.45 | 97.99000000000001 | 4 | 22 | 0.96 | C24H40O5 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C846 | 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 |
|---|---|---|---|---|---|---|
| [b-Cyclodextrin](1).[cholate] | 3.61 | 1.92 | 7.2 | 25.0 | Microcalorimetric titrations | Yu Liu 2003 |
| [mono-(6-amino-6-deoxy)-b-CD](1).[cholate] | 4.05 | 1.88 | 7.2 | 25.0 | Microcalorimetric titrations | Yu Liu 2003 |
| [mono(6-carboxymethylamino-6-deoxy)-b-CD](1).[cholate] | 3.68 | 1.90 | 7.2 | 25.0 | Microcalorimetric titrations | Yu Liu 2003 |
| [mono[6-(R(-))-1-hydroxymethylpropylamino)-6-deoxy]-b-CD](1).[cholate] | 4.23 | 2.52 | 7.2 | 25.0 | Microcalorimetric titrations | Yu Liu 2003 |