Doxorubicinone
(7S,9S)-6,7,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C21H18O9 |
|---|---|
| Molecular Weight | 414.4 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 162.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.0951 |
| Heavy Atoms | 30 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 24385-10-2 |
|---|---|
| SMILES | COC1=CC=CC2=C1C(=O)C3=C(C4=C(CC(CC4O)(C(=O)CO)O)C(=C3C2=O)O)O |
| InChIKey | IBZGBXXTIGCACK-CWKPULSASA-N |
📖 Product Overview
Doxorubicinone (CAS: 24385-10-2) is a chemical compound with molecular formula C21H18O9 and molecular weight 414.4 g/mol. Its IUPAC systematic name is (7S,9S)-6,7,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
IBZGBXXTIGCACK-CWKPULSASA-N.
SMILES: COC1=CC=CC2=C1C(=O)C3=C(C4=C(CC(CC4O)(C(=O)CO)O)C(=C3C2=O)O)O.
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