methyl rel-(6R,7aS)-1-oxo-2-[(oxolan-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
methyl rel-(6R,7aS)-1-oxo-2-[(oxolan-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
methyl rel-(6R,7aS)-1-oxo-2-[(oxolan-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 6283-0050 |
| Compound Name: | methyl rel-(6R,7aS)-1-oxo-2-[(oxolan-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 293.32 |
| Molecular Formula: | C15 H19 N O5 |
| Smiles: | COC(C1[C@@H]2C(N(CC3CCCO3)C[C@]23C=C[C@H]1O3)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.2872 |
| logD: | 0.2872 |
| logSw: | -0.3448 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.375 |
| InChI Key: | XXSHSQUHWOLXHX-MZOWXFEASA-N |