(1R,4R,8R)-7-(hydroxymethyl)-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-ol
(1R,4R,8R)-7-(hydroxymethyl)-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-ol
Also Known As: Isatinecine|(1R,4R,8R)-7-(hydroxymethyl)-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-ol|BIS((1R,4R,7AR)-1-HYDROXY-7-(HYDROXYMETHYL)-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-4-IUM-4-OLATE)
CAS: 6870-33-3
| Molecular Formula | C16H26N2O6 |
|---|---|
| Molecular Weight | 342.17908 g/mol |
| LogP | -1.267 |
| Topological Polar Surface Area | 127.04 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.17908 |
| Monoisotopic Mass | 342.17908 |
| Heavy Atoms | 24 |
| Complexity | 504.68573 |
Chemical Identifiers
| CAS Number | 6870-33-3 |
|---|---|
| SMILES | C1C[N@+]2(CC=C([C@@H]2[C@@H]1O)CO)[O-].C1C[N@+]2(CC=C([C@@H]2[C@@H]1O)CO)[O-] |
Product Overview
(1R,4R,8R)-7-(hydroxymethyl)-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-ol (CAS 6870-33-3), with molecular formula C16H26N2O6 and molecular weight 342.17908 g/mol. IUPAC: (1R,4R,8R)-7-(hydroxymethyl)-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-ol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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(1R,4R,8R)-7-(hydroxymethyl)-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-ol is a custom synthesis product. We offer services from milligram to kilogram scale.
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