(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoatesulfuric acidhydrate
bis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate);sulfuric acid;hydrate
| Molecular Formula | C34H50N2O11S |
|---|---|
| Molecular Weight | 694.8 g/mol |
| Topological Polar Surface Area | 184.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 694.31354 |
| Heavy Atoms | 48 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 5908-99-6 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O |
| InChIKey | JPKKQJKQTPNWTR-UHFFFAOYSA-N |
📖 Product Overview
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoatesulfuric acidhydrate (CAS: 5908-99-6) is a chemical compound with molecular formula C34H50N2O11S and molecular weight 694.8 g/mol. Its IUPAC systematic name is bis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate);sulfuric acid;hydrate.
JPKKQJKQTPNWTR-UHFFFAOYSA-N.
SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O.
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