HuagongsheHuagongshe Chemistry Print Report · For research reference only
Cepacidine A
Cepacidin A · Cepacidine A · Cepacidin A1 (9CI)
Identifiers & Physical Properties
| CAS No. | 157184-36-6 |
|---|---|
| Molecular formula | C52H85N11O22 |
| Average molar mass | 1,216.3 g/mol |
| Monoisotopic mass | 1,215.58706338 g/mol |
| SMILES | CCCCCCCCCC(N)CC(O)CC(CC1CC(=O)NC(CO)C(=O)NC(C(O)c2ccc(O)cc2)C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NCC(=O)NCCC(N)C(=O)NC(C(O)C(N)=O)C(=O)N1)OC1OCC(O)C(O)C1O |
| InChIKey | AHNDNUVPXFPPIH-UHFFFAOYSA-N |
| PubChem CID | 190872 |
Chemical & Physical Properties
| XLogP | -6.9 |
|---|---|
| Topological polar surface area | 566 |
| Hydrogen bond donors | 21 |
| Hydrogen bond acceptors | 24 |
| Rotatable bonds | 24 |
| Heavy atoms | 85 |
| Formal charge | 0 |
| Complexity | 2,180 |
| Boiling point | 1699.8±65.0 °C(Predicted) |
| Density | 1.47±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 4.00±0.10(Predicted) |
Applications & Uses
Description
Cepacidine A is a novel glycopeptide with a potent antifungal activity, which is produced by Pseudomonas cepacia AF 2001; cepacidine A is a mixture of cepacidine A1 & A2.