calcichrome
- CAS:
- Other names: calcion
- SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Oc1cc(cc2C=C(\C(=N/Nc3cc(cc4C=C(\C(=N/Nc5cc(cc6cc(cc(O)c56)[S]([O-])(=O)=O)[S]([O-])(=O)=O)C(=O)c34)[S]([O-])(=O)=O)[S]([O-])(=O)=O)C(=O)c12)[S]([O-])(=O)=O)[S]([O-])(=O)=O
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 1112.77 | 20 | 4 | 5.60 | 516.8599999999999 | 10 | 219 | 0.00 | C30H14N4Na6O22S6 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| JN_38 | 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 |
|---|---|---|---|---|---|---|
| [a-Cyclodextrin](1).[calcichrome] | 2.76 | 2.11 | 25.0 | NMR spectroscopy | Bo-Long Poh 1996 | |
| [b-Cyclodextrin](1).[calcichrome] | 2.58 | 1.90 | 25.0 | NMR spectroscopy | Bo-Long Poh 1996 | |
| [g-Cyclodextrin](1).[calcichrome] | 2.63 | 2.15 | 25.0 | NMR spectroscopy | Bo-Long Poh 1996 | |