130676-66-3
Product Name:
(2S,3S,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic Acid (Orlistat Impurity)
Formula:
C29H55NO6
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 513.7 g/mol |
---|---|
XLogP3 | 9.2 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 25 |
Exact Mass | 513.40293847 g/mol |
Monoisotopic Mass | 513.40293847 g/mol |
Topological Polar Surface Area | 113 Ų |
Heavy Atom Count | 36 |
Formal Charge | 0 |
Complexity | 568 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 4 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |