Base information
| Cat. No. | |
| CAS No. | 846549-37-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H42N4O12 |
| Molecular Weight | 554.588 |
| Exact Mass | 554.28 |
| XLogP3 | -0.50944 |
| Mr | 127.227 |
| PSA | 199.22 |
| Sequence | - |
| Atom number | 80 |
| Bond number | 79 |
| Ring number | 0 |
| Rotor number | 32 |
| Residues number | 0 |
| Canonical smiles | [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)O |
