(E)-but-2-enedioic acid;N-[4-[(1R)-4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide


Chemical Name: (E)-but-2-enedioic acid;N-[4-[(1R)-4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CAS Number: 122647-32-9
Product Number: AG0017L2(AGN-PC-0BIOSA)
Synonyms:
MDL No:
Molecular Formula: C44H76N4O10S2
Molecular Weight: 885.2250

Identification/Properties


Computed Properties
Molecular Weight:
885.23g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
14
Rotatable Bond Count:
30
Exact Mass:
884.5g/mol
Monoisotopic Mass:
884.5g/mol
Topological Polar Surface Area:
231A^2
Heavy Atom Count:
60
Formal Charge:
0
Complexity:
561
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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