Base information
| Cat. No. | |
| CAS No. | 41927-89-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H31CaN7O12 |
| Molecular Weight | 601.578 |
| Exact Mass | 601.166 |
| XLogP3 | 1.0895 |
| Mr | 137.87 |
| PSA | 244.25 |
| Sequence | - |
| Atom number | 71 |
| Bond number | 69 |
| Ring number | 4 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | O=CN1C(CNc2ccc(cc2)C(=O)N[C@H]2CCC(=O)O[Ca]OC2=O)CNc2c1c(O)nc(n2)N.O.O.O.O.O |
