4-O-Methylaclacinomycin T
methyl 4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: 4-O-Methylaclacinomycin T|1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5-dihydroxy-6,11-dioxo-2-ethyl-7-methoxy-4-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-|Methyl 2-ethyl-2,5-dihydroxy-7-methoxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate|methyl 4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
| Molecular Formula | C31H37NO10 |
|---|---|
| Molecular Weight | 583.24176 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 583.24176 |
| Monoisotopic Mass | 583.24176 |
| Heavy Atoms | 42 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 80930-65-0 |
|---|---|
| SMILES | CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)N(C)C)O |
| InChIKey | WBMXRYALFPXLMA-UHFFFAOYSA-N |
Product Overview
4-O-Methylaclacinomycin T (CAS 80930-65-0), with molecular formula C31H37NO10 and molecular weight 583.24176 g/mol. IUPAC: methyl 4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
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