Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, monohydrate,(3a,5b,12a)-


Chemical Name: Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, monohydrate,(3a,5b,12a)-
CAS Number: 145224-92-6
Product Number: AG001KP5(AGN-PC-0PWU3A)
Synonyms:
MDL No: MFCD00150750
Molecular Formula: C24H41NaO5
Molecular Weight: 432.5691

Identification/Properties


Computed Properties
Molecular Weight:
432.577g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
432.285g/mol
Monoisotopic Mass:
432.285g/mol
Topological Polar Surface Area:
81.6A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
612
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:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P301+P312+P330
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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