TL;DR: alpha-L-Mannopyranoside, 4-(2-(dimethylamino)ethyl)phenyl 6-deoxy- (CAS 111537-49-6) is a chemical compound with molecular formula C16H25NO5 and molecular weight 311.17328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,4R,5R,6S)-2-[4-[2-(dimethylamino)ethyl]phenoxy]-6-methyloxane-3,4,5-triol
Also Known As: alpha-L-Mannopyranoside, 4-(2-(dimethylamino)ethyl)phenyl 6-deoxy-, 4-[2-(Dimethylamino)ethyl]phenyl 6-deoxy-alpha-L-mannopyranoside, (2S,3R,4R,5R,6S)-2-[4-(2-dimethylaminoethyl)phenoxy]-6-methyl-oxane-3,4,5-triol, (2S,3R,4R,5R,6S)-2-[4-(2-dimethylaminoethyl)phenoxy]-6-methyloxane-3,4,5-triol
| Molecular Formula | C16H25NO5 |
| Molecular Weight | 311.17328 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 82.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.17328 Da |
| Heavy Atoms | 22 |
| Complexity | 332.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CCN(C)C)O)O)O |
| InChIKey | WEFXZOOWEFIMCT-JMWBNMSQSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-L-Mannopyranoside, 4-(2-(dimethylamino)ethyl)phenyl 6-deoxy-. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-L-Mannopyranoside, 4-(2-(dimethylamino)ethyl)phenyl 6-deoxy-. Following Lipinski's Rule of Five, alpha-L-Mannopyranoside, 4-(2-(dimethylamino)ethyl)phenyl 6-deoxy- has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of alpha-L-Mannopyranoside, 4-(2-(dimethylamino)ethyl)phenyl 6-deoxy- is 111537-49-6.
The molecular formula of alpha-L-Mannopyranoside, 4-(2-(dimethylamino)ethyl)phenyl 6-deoxy- is C16H25NO5.
The molecular weight of alpha-L-Mannopyranoside, 4-(2-(dimethylamino)ethyl)phenyl 6-deoxy- is 311.17328 g/mol.
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