[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](oxan-4-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](oxan-4-yl)methanone
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](oxan-4-yl)methanone
Compound characteristics
| Compound ID: | S858-5965 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](oxan-4-yl)methanone |
| Molecular Weight: | 346.44 |
| Molecular Formula: | C15 H26 N2 O5 S |
| Smiles: | CS(N1C[C@@H]2CCN(C[C@@]2(C1)CO)C(C1CCOCC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.3542 |
| logD: | -0.3542 |
| logSw: | -0.9472 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.472 |
| InChI Key: | UZISLABKNWBKRC-UKRRQHHQSA-N |