AC1L4JJR
(1S,9aR)-1-(dipentoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Also Known As: s-[(1s,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipentyl phosphorothioate|Phosphorothioic acid, S-((octahydro-2H-quinolizin-1-yl)methyl) O,O-dipentyl ester, (1S-cis)-|(1R,9aR)-1-(dipentoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine|(1S,9aR)-1-(dipentoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
| Molecular Formula | C20H40NO3PS |
|---|---|
| Molecular Weight | 405.24664 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 405.24664 |
| Monoisotopic Mass | 405.24664 |
| Heavy Atoms | 26 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 7735-33-3 |
|---|---|
| SMILES | CCCCCOP(=O)(OCCCCC)SC[C@H]1CCCN2[C@@H]1CCCC2 |
| InChIKey | VMRXTDUIULCYOS-WOJBJXKFSA-N |
Product Overview
AC1L4JJR (CAS 7735-33-3), with molecular formula C20H40NO3PS and molecular weight 405.24664 g/mol. IUPAC: (1S,9aR)-1-(dipentoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
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