Medorubicin
(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Medorubicin|4-Demethoxy-4'-epi-adriamycin|4'-epi-Adriamycin, 4-demethoxy-|(7S-cis)-7-((3-Amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(hydroxyacetyl)-5,12-naphthacenedione|5,12-Naphthacenedione, 7-((3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(hydroxyacetyl)-, (7S-cis)-|(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione|5,12-Naphthacenedione, 7-[(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(hydroxyacetyl)-, (7S-cis)-
| Molecular Formula | C26H27NO10 |
|---|---|
| Molecular Weight | 513.1635 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 513.1635 |
| Monoisotopic Mass | 513.1635 |
| Heavy Atoms | 37 |
| Complexity | 929.0 |
Chemical Identifiers
| CAS Number | 62348-68-9 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CO)O)N)O |
| InChIKey | XVXGYZFARCOVHS-LHFQILNESA-N |
Product Overview
Medorubicin (CAS 62348-68-9), with molecular formula C26H27NO10 and molecular weight 513.1635 g/mol. IUPAC: (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione.