Cholan-24-oic acid, 3,7,12-trihydroxy-, (3a,5b,7a,12a)-


Chemical Name: Cholan-24-oic acid, 3,7,12-trihydroxy-, (3a,5b,7a,12a)-
CAS Number: 81-25-4
Product Number: AG00ID5L(AGN-PC-0OIIP0)
Synonyms:
MDL No:
Molecular Formula: C24H40O5
Molecular Weight: 408.5714

Identification/Properties


Computed Properties
Molecular Weight:
408.579g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
408.288g/mol
Monoisotopic Mass:
408.288g/mol
Topological Polar Surface Area:
98A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
637
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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