Megalomicin A, 4(sup A)-acetate
[6-[[6,7-bis[[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy]-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl] acetate
Also Known As: Megalomicin B|Megalomycin B|Antibiotic XK 41B1|4'-Acetylmegalomicin A|Megalomicin A, 4(sup A)-acetate|XK-41-B1|W-847-B|[6-[[6,7-bis[[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy]-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl] acetate
| Molecular Formula | C46H82N2O16 |
|---|---|
| Molecular Weight | 918.5664 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 918.5664 |
| Monoisotopic Mass | 918.5664 |
| Heavy Atoms | 64 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 49669-75-2 |
|---|---|
| SMILES | CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)C)(C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC4C(C(CC(O4)C)N(C)C)O)C)C)O)(C)O |
| InChIKey | KHOCFDNYFNYCOL-UHFFFAOYSA-N |
Product Overview
Megalomicin A, 4(sup A)-acetate (CAS 49669-75-2), with molecular formula C46H82N2O16 and molecular weight 918.5664 g/mol. IUPAC: [6-[[6,7-bis[[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy]-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl] acetate.