rel-(6R,7aS)-1-oxo-2-[(oxolan-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
rel-(6R,7aS)-1-oxo-2-[(oxolan-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
rel-(6R,7aS)-1-oxo-2-[(oxolan-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | C430-0597 |
| Compound Name: | rel-(6R,7aS)-1-oxo-2-[(oxolan-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 279.29 |
| Molecular Formula: | C14 H17 N O5 |
| Smiles: | C1CC(CN2C[C@]34C=C[C@H](C(C(O)=O)[C@@H]3C2=O)O4)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.1674 |
| logD: | -2.3888 |
| logSw: | -0.2303 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.61 |
| InChI Key: | ZIXZUJGRFYPACJ-XGXDVYGGSA-N |