Alprenolol glucuronide
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: Alprenolol glucuronide|(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-yl]oxyoxane-2-carboxylic acid|beta-D-Glucopyranosiduronic acid, 1-(((1-methylethyl)amino)methyl)-2-(2-(2-propenyl)phenoxy)ethyl|1-[(Propan-2-yl)amino]-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-yl hexopyranosiduronic acid|1-[(Propan-2-yl)amino]-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-yl beta-D-glucopyranosiduronic acid
| Molecular Formula | C21H31NO8 |
|---|---|
| Molecular Weight | 425.20496 g/mol |
| LogP | 0.0693 |
| Topological Polar Surface Area | 137.71 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 425.20496 |
| Monoisotopic Mass | 425.20496 |
| Heavy Atoms | 30 |
| Complexity | 697.33887 |
Chemical Identifiers
| CAS Number | 54587-50-7 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=CC=C1CC=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
Product Overview
Alprenolol glucuronide (CAS 54587-50-7), with molecular formula C21H31NO8 and molecular weight 425.20496 g/mol. IUPAC: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-yl]oxyoxane-2-carboxylic acid.
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