N-Dodecanoyl daunorubicin
N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]dodecanamide
Also Known As: N-Dodecanoyl daunorubicin|DAUNOMYCIN, N-DODECANOYL|(8S-cis)-8-Acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((1-oxododecyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione|3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dodecanoylamino)hexopyranoside|5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((1-oxododecyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-|N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]dodecanamide
| Molecular Formula | C39H51NO11 |
|---|---|
| Molecular Weight | 709.3462 g/mol |
| LogP | 5.11 |
| Topological Polar Surface Area | 188.92 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 709.3462 |
| Heavy Atoms | 51 |
| Complexity | 1654.1 |
Chemical Identifiers
| CAS Number | 62327-71-3 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)NC1CC(OC(C1O)C)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O |
Product Overview
N-Dodecanoyl daunorubicin (CAS 62327-71-3), with molecular formula C39H51NO11 and molecular weight 709.3462 g/mol. IUPAC: N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]dodecanamide.
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