Ethanesulfonic acid,2-[[(3a,5b,7b)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-


Chemical Name: Ethanesulfonic acid,2-[[(3a,5b,7b)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-
CAS Number: 14605-22-2
Product Number: AG00HXH5(AGN-PC-0PY1ZV)
Synonyms:
MDL No: MFCD00065451
Molecular Formula: C26H45NO6S
Molecular Weight: 499.7036

Identification/Properties


Computed Properties
Molecular Weight:
499.707g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
7
Exact Mass:
499.297g/mol
Monoisotopic Mass:
499.297g/mol
Topological Polar Surface Area:
132A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
858
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
10
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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