1-Naphthaleneheptanoic acid,8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-b,d-dihydroxy-2,6-dimethyl-, monoammonium salt, (bR,dR,1S,2S,6R,8S,8aR)-


Chemical Name: 1-Naphthaleneheptanoic acid,8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-b,d-dihydroxy-2,6-dimethyl-, monoammonium salt, (bR,dR,1S,2S,6R,8S,8aR)-
CAS Number: 139893-43-9
Product Number: AG001BS5(AGN-PC-0PP0N6)
Synonyms:
MDL No:
Molecular Formula: C25H43NO6
Molecular Weight: 453.6120

Identification/Properties


Computed Properties
Molecular Weight:
453.62g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
11
Exact Mass:
453.309g/mol
Monoisotopic Mass:
453.309g/mol
Topological Polar Surface Area:
105A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
694
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
7
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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