HuagongsheHuagongshe Chemistry Print Report · For research reference only
Cytosaminomycin C
cytosaminomycin C · 2-Butenamide, N-[1-[2,6-dideoxy-4-O-[4,6-dideoxy-4-(dimethylamino)-α-D-glucopyranosyl]-β-D-arabino-hexopyranosyl]-1,2-dihydro-2-oxo-4-pyrimidinyl]-3-methyl-

Identifiers & Physical Properties
| CAS No. | 157878-04-1 |
|---|---|
| Molecular formula | C23H36N4O8 |
| Average molar mass | 496.6 g/mol |
| Monoisotopic mass | 496.25331412 g/mol |
| SMILES | CC(C)=CC(=O)Nc1ccn([C@H]2C[C@@H](O)[C@H](O[C@H]3O[C@H](C)[C@@H](N(C)C)[C@H](O)[C@H]3O)[C@@H](C)O2)c(=O)n1 |
| InChIKey | QIFBWQHIMSOVGC-NJGLGVPISA-N |
| PubChem CID | 190896 |
| ChEBI | CHEBI:201096 |
Chemical & Physical Properties
| XLogP | -0.5 |
|---|---|
| Topological polar surface area | 153 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 9 |
| Rotatable bonds | 6 |
| Heavy atoms | 35 |
| Formal charge | 0 |
| Complexity | 887 |
| Density | 1.425±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 9.540±0.20(predicted) |