Base information
| Cat. No. | |
| CAS No. | 12627-38-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H25NaO5S |
| Molecular Weight | 352.421 |
| Exact Mass | 352.132 |
| XLogP3 | 4.3368 |
| Mr | 85.7484 |
| PSA | 84.04 |
| Sequence | - |
| Atom number | 48 |
| Bond number | 47 |
| Ring number | 1 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CC(c1ccc(cc1)OCCOS(=O)(=O)[O-])(CC(C)(C)C)C.[Na+] |
