Celgosivir
[(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] butanoate
| Molecular Formula | C12H21NO5 |
|---|---|
| Molecular Weight | 259.3 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 90.2 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.14197 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 121104-96-9 |
|---|---|
| SMILES | CCCC(=O)OC1CN2CCC(C2C(C1O)O)O |
| InChIKey | HTJGLYIJVSDQAE-VWNXEWBOSA-N |
📖 Product Overview
Celgosivir (CAS: 121104-96-9) is a chemical compound with molecular formula C12H21NO5 and molecular weight 259.3 g/mol. Its IUPAC systematic name is [(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] butanoate.
HTJGLYIJVSDQAE-VWNXEWBOSA-N.
SMILES: CCCC(=O)OC1CN2CCC(C2C(C1O)O)O.
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