MS-325
- CAS:
- Other names:
- SMILES: [H+].[H+].[H+].C1CC(CCC1OP(=O)([O-])OC[C@@H](CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3.[Gd+3]
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 891.91 | 11 | 0 | -4.49 | 278.77 | 23 | 102 | 0.48 | C33H38GdN3O14P |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C18 | 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).[MS-325] | 4.90 | 7.0 | 25.0 | Proton Relaxation Enhancement Method | Silvio Aime 2006 | |
| [chitosan-b-CD].[MS-325] | 5.49 | 7.0 | 25.0 | Proton Relaxation Enhancement Method | Silvio Aime 2006 | |