6-ETHYLCHENODEOXYCHOLIC ACID


Chemical Name: 6-ETHYLCHENODEOXYCHOLIC ACID
CAS Number: 459789-99-2
Product Number: AG00368R(AGN-PC-0WAFO3)
Synonyms:
MDL No:
Molecular Formula: C26H44O4
Molecular Weight: 420.6252

Identification/Properties


Properties
MP:
>98ºC (dec.)
BP:
562.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
420.634g/mol
XLogP3:
5.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
420.324g/mol
Monoisotopic Mass:
420.324g/mol
Topological Polar Surface Area:
77.8A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
649
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
11
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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