AC1Q6SZM
(1R)-1-(dibutoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Also Known As: 2-pentylcyclopropanecarboxylic acid|o,o-dibutyl s-[(1r)-octahydro-2h-quinolizin-1-ylmethyl] phosphorothioate|(1R)-1-(dibutoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine|O,O-Dibutyl S-[(octahydro-2H-quinolizin-1-yl)methyl] phosphorothioate|O,O-Dibutyl S-{[(1R)-octahydro-2H-quinolizin-1-yl]methyl} phosphorothioate|(1S)-1-(dibutoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine|Phosphorothioic acid, O,O-dibutyl S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1R-trans)-
| Molecular Formula | C18H36NO3PS |
|---|---|
| Molecular Weight | 377.21536 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 377.21536 |
| Monoisotopic Mass | 377.21536 |
| Heavy Atoms | 24 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 6319-65-9 |
|---|---|
| SMILES | CCCCOP(=O)(OCCCC)SC[C@@H]1CCCN2C1CCCC2 |
| InChIKey | KZIOEMZRHQTBTC-ZENAZSQFSA-N |
Product Overview
AC1Q6SZM (CAS 6319-65-9), with molecular formula C18H36NO3PS and molecular weight 377.21536 g/mol. IUPAC: (1R)-1-(dibutoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.