Base information
| Cat. No. | |
| CAS No. | 68929-06-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C40H40Cl2N4O16 |
| Molecular Weight | 903.669 |
| Exact Mass | 902.182 |
| XLogP3 | 2.2446 |
| Mr | 230.402 |
| PSA | 354.7 |
| Sequence | - |
| Atom number | 102 |
| Bond number | 104 |
| Ring number | 5 |
| Rotor number | 20 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCC1=C(CC(=O)O)/C/2=C/c3[nH]c(c(c3CCC(=O)O)CC(=O)O)/C=C/3\N=C(/C=c/4\[nH]/c(=C\C1=N2)/c(CC(=O)O)c4CCC(=O)O)C(=C3CCC(=O)O)CC(=O)O.Cl.Cl |
