Antibiotic MA144 B1
methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: Aclacinomycin B|Aclacinomycin|Antibiotic MA144 B1|Antibiotic MA144-B1|MA 144B1|MA 144-B1|Methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate|1-Naphthacenecarboxylic acid,3''-anhydro]-O-3,6-dideoxy-.alpha.-L-erythro-hexopyranos-4-ulos-1-yl-(1.fwdarw.4)-O-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1.fwdarw.4)-2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-, methyl ester,[1R-(1.alpha.,2.beta.,4.beta.)]-
| Molecular Formula | C42H51NO15 |
|---|---|
| Molecular Weight | 809.32587 g/mol |
| LogP | 3.1741 |
| Topological Polar Surface Area | 206.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 809.32587 |
| Monoisotopic Mass | 809.32587 |
| Heavy Atoms | 58 |
| Complexity | 2002.1967 |
Chemical Identifiers
| CAS Number | 57596-79-9 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC7C(C(O6)C)OC8C(O7)CC(=O)C(O8)C)N(C)C)O |
Product Overview
Antibiotic MA144 B1 (CAS 57596-79-9), with molecular formula C42H51NO15 and molecular weight 809.32587 g/mol. IUPAC: methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
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