Glycine, N-[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]-,monosodium salt


Chemical Name: Glycine, N-[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]-,monosodium salt
CAS Number: 863-57-0
Product Number: AG003QSI(AGN-PC-0V4GTI)
Synonyms:
MDL No:
Molecular Formula: C26H42NNaO6
Molecular Weight: 487.6045

Identification/Properties


Properties
MP:
210-215 °C
BP:
692°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
30 ° (C=1, H2O)
Computed Properties
Molecular Weight:
487.613g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
487.291g/mol
Monoisotopic Mass:
487.291g/mol
Topological Polar Surface Area:
130A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
766
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:
2
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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