TL;DR: 5-O-Desosaminylerythronolide A oxime (CAS 53066-45-8) is a chemical compound with molecular formula C31H56N2O11 and molecular weight 632.3884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] acetate
Also Known As: 5-O-Desosaminylerythronolide A oxime, 3-Acetyl-5-O-desosaminyl-erythronolid A-oxim, [6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] acetate, 6-{[4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-10-(hydroxyimino)-3,5,7,9,11,13-hexamethyl-2-oxooxacyclotetradecan-4-yl acetate(non-preferred name), 3-O-Acetyl-3-O-de(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)erythromycin 9-oxime
| Molecular Formula | C31H56N2O11 |
| Molecular Weight | 632.3884 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 188.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 632.3884 Da |
| Heavy Atoms | 44 |
| Complexity | 1010.0 |
| SMILES | CCC1C(C(C(C(=NO)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)C)C)OC2C(C(CC(O2)C)N(C)C)O)(C)O)C)C)O)(C)O |
| InChIKey | QQXGEGWVSCUUHT-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-O-Desosaminylerythronolide A oxime. The TPSA of 188.0 Ų indicates high polarity, suggesting 5-O-Desosaminylerythronolide A oxime may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-O-Desosaminylerythronolide A oxime has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-O-Desosaminylerythronolide A oxime is 53066-45-8.
The molecular formula of 5-O-Desosaminylerythronolide A oxime is C31H56N2O11.
The molecular weight of 5-O-Desosaminylerythronolide A oxime is 632.3884 g/mol.
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