(1R)-1-(dibutoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Basic information
- CAS
60365-69-7- Standard SMILES
CCCCOP(=O)(OCCCC)SC[C@@H]1CCCN2CCCCC12- InChIKey
KZIOEMZRHQTBTC-ZENAZSQFSA-N- Molecular formula
- C18H36NO3PS
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.21535218
Names & identifiers
- Preferred name
- (1R)-1-(dibutoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
- IUPAC
- (1R)-1-(dibutoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Names & synonyms
60365-69-7DTXSID10975775O,O-Dibutyl S-[(octahydro-2H-quinolizin-1-yl)methyl] phosphorothioateO,O-Dibutyl S-{[(1R)-octahydro-2H-quinolizin-1-yl]methyl} phosphorothioatePhosphorothioic acid, O,O-dibutyl S-((octahydro-2H-quinolizin-1-yl)methyl) ester, (1R-trans)-
Database identifiers
- CAS
60365-69-7- PubChem CID
- 187973
- DTXSID
DTXSID10975775
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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