Megalomycin C2
[4-acetyloxy-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]-2,4-dimethyloxan-3-yl] propanoate
Also Known As: Megalomycin C2|Megalomicin C2|Antibiotic XK 41A1|XK-41-A1|W-847-C2|Megalomicin A, 3(sup A)-acetate 4(sup A)-propionate|[4-acetyloxy-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]-2,4-dimethyloxan-3-yl] propanoate
| Molecular Formula | C49H86N2O17 |
|---|---|
| Molecular Weight | 974.59265 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 14 |
| Exact Mass | 974.59265 |
| Monoisotopic Mass | 974.59265 |
| Heavy Atoms | 68 |
| Complexity | 1700.0 |
Chemical Identifiers
| CAS Number | 49669-77-4 |
|---|---|
| SMILES | CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)CC)(C)OC(=O)C)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 | CZALPQDKXGHQPI-UHFFFAOYSA-N |
Product Overview
Megalomycin C2 (CAS 49669-77-4), with molecular formula C49H86N2O17 and molecular weight 974.59265 g/mol. IUPAC: [4-acetyloxy-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]-2,4-dimethyloxan-3-yl] propanoate.