HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Acetyl-1-(dimethylamino)-4,4a,6,7,11,12-hexahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione
ADOT · PA-7478 · ADOT-7478 · Terramycin-x · 4,4a,5,5a,6,12a-Hexahydro-2-acetyl-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-naphthacenedione · 1,11-Naphthacenedione, 4,4A,5,5A,6,12A-hexahydro-2-acetyl-4-(dimethylamino)-3,5,6,10,12,12A-hexahydroxy-6-methyl-
Identifiers & Physical Properties
| CAS No. | 6986-98-7 |
|---|---|
| Molecular formula | C23H25NO9 |
| Average molar mass | 459.4 g/mol |
| Monoisotopic mass | 459.15293138 g/mol |
| SMILES | CC(=O)C1=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3C(O)C2C(N(C)C)C1=O |
| InChIKey | IEXLMWZQCURUMB-UHFFFAOYSA-N |
| PubChem CID | 201839 |
| DTXSID | DTXSID60990135 |
Chemical & Physical Properties
| XLogP | -1.3 |
|---|---|
| Topological polar surface area | 176 |
| Hydrogen bond donors | 6 |
| Hydrogen bond acceptors | 10 |
| Rotatable bonds | 2 |
| Heavy atoms | 33 |
| Formal charge | 0 |
| Complexity | 1,000 |