HuagongsheHuagongshe Chemistry Print Report · For research reference only
Pev-myomodulin
pev-myomodulin · Myomodulin (Perinereis vancaurica) (9CI)
Identifiers & Physical Properties
| CAS No. | 157203-83-3 |
|---|---|
| Molecular formula | C32H61N11O7S3 |
| Average molar mass | 808.1 g/mol |
| Monoisotopic mass | 807.39175685 g/mol |
| SMILES | CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](C)N)C(N)=O |
| InChIKey | QIVAPUQIIBGRDE-BTNSXGMBSA-N |
| PubChem CID | 190873 |
| DTXSID | DTXSID10935637 |
Chemical & Physical Properties
| XLogP | -1.2 |
|---|---|
| Topological polar surface area | 384 |
| Hydrogen bond donors | 10 |
| Hydrogen bond acceptors | 12 |
| Rotatable bonds | 28 |
| Heavy atoms | 53 |
| Formal charge | 0 |
| Complexity | 1,230 |
| Density | 1.38±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 13.26±0.46(Predicted) |