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66800-28-0

66800-28-0 structural image
Product Name: Phosphorothioic acid, O,O-bis(3-methylbutyl) S-[[(1R,9aR)-octahydro-2H-quinolizin-1-yl]methyl] ester
Formula: C20H40NO3PS
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COMPUTED DESCRIPTORS

Molecular Weight 405.6 g/mol
XLogP3 5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 11
Exact Mass 405.24665231 g/mol
Monoisotopic Mass 405.24665231 g/mol
Topological Polar Surface Area 64.1 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 429
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes