[rel-(1R,7aS)-4-oxooctahydro-4lambda~5~-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Chemical Structure Depiction of
[rel-(1R,7aS)-4-oxooctahydro-4lambda~5~-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
[rel-(1R,7aS)-4-oxooctahydro-4lambda~5~-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Compound characteristics
| Compound ID: | N036-0104 |
| Compound Name: | [rel-(1R,7aS)-4-oxooctahydro-4lambda~5~-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate |
| Molecular Weight: | 301.38 |
| Molecular Formula: | C15 H27 N O5 |
| Smiles: | [H]C(C)(C(C(C)C)(C(=O)OC[C@@H]1CC[N+]2(CCC[C@@]12[H])[O-])O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8918 |
| logD: | 0.8918 |
| logSw: | -0.3897 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.535 |
| InChI Key: | DLNWZIVYKQXLTN-IKZJNQNNSA-N |