2-[(3a,7a,12a-trihydroxy-24-oxo-5b-cholan-24-yl) amino]ethanesulfonic acid
- CAS:
- Other names: taurocholate, TCA
- SMILES: C[C@H](CCC(=O)NCC[S](O)(=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 |
| 515.70 |
8 |
5 |
3.84 |
152.54 |
6 |
62 |
0.96 |
C26H45NO7S |
Availability
| Suppliers |
Supplier IDs |
Storage |
Storage ID |
Quantity |
Class |
Added |
|
|
|
VR_C37 |
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 |
| [Randomly methylated-b-Cyclodextrin (DS ~12)](1).[2-[(3a,7a,12a-trihydroxy-24-oxo-5b-cholan-24-yl) amino]ethanesulfonic acid ] |
3.33 |
1.52 |
|
25.0 |
Isothermal Titration Calorimetry |
Fredrik Ollila 2001 |