Base information
| Cat. No. | |
| CAS No. | 66436-47-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H14N5NaO5S2 |
| Molecular Weight | 407.401 |
| Exact Mass | 407.033 |
| XLogP3 | 0.6846 |
| Mr | 94.9474 |
| PSA | 211.75 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 41 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CC1=C(N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N\O)/c1csc(n1)N)C(=O)O.[NaH] |
