HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-deoxy-6-O-(2,3-dideoxy-4,6-O-isopropylidene-2,3-(N-tosylepimino)mannopyranosyl)-4,5-O-isopropylidene-1,3-di-N-tosylstreptamine
2-deoxy-6-O-(2,3-dideoxy-4,6-O-isopropylidene-2,3-(N-tosylepimino)mannopyranosyl)-4,5-O-isopropylidene-1,3-di-N-tosylstreptamine
Identifiers & Physical Properties
| CAS No. | 143084-95-1 |
|---|---|
| Molecular formula | C39H49N3O12S3 |
| Average molar mass | 848 g/mol |
| Monoisotopic mass | 847.24783753 g/mol |
| SMILES | Cc1ccc(S(=O)(=O)NC2CC(NS(=O)(=O)c3ccc(C)cc3)C3OC(C)(C)OC3C2OC2OC3COC(C)(C)OC3C3C2N3S(=O)(=O)c2ccc(C)cc2)cc1 |
| InChIKey | NKSAETPCYNTDOX-UHFFFAOYSA-N |
| PubChem CID | 3083374 |
| DTXSID | DTXSID00931744 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 210 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 15 |
| Rotatable bonds | 10 |
| Heavy atoms | 57 |
| Formal charge | 0 |
| Complexity | 1,770 |