Supinine N-oxide
[(4R)-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
| Molecular Formula | C15H25NO5 |
|---|---|
| Molecular Weight | 299.36 g/mol |
| Topological Polar Surface Area | 84.8 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.17328 |
| Heavy Atoms | 21 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 24351-90-4 |
|---|---|
| SMILES | CC(C)C(C(C)O)(C(=O)OCC1=CC[N+]2(C1CCC2)[O-])O |
| InChIKey | ZKRKVSLSTMOPAL-SXSDBLRQSA-N |
📖 Product Overview
Supinine N-oxide (CAS: 24351-90-4) is a chemical compound with molecular formula C15H25NO5 and molecular weight 299.36 g/mol. Its IUPAC systematic name is [(4R)-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate.
ZKRKVSLSTMOPAL-SXSDBLRQSA-N.
SMILES: CC(C)C(C(C)O)(C(=O)OCC1=CC[N+]2(C1CCC2)[O-])O.
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