D-Gluconamide,N,N'-[[[(3a,5b,12a)-3,12-dihydroxy-24-oxocholan-24-yl]imino]di-3,1-propanediyl]bis-


Chemical Name: D-Gluconamide,N,N'-[[[(3a,5b,12a)-3,12-dihydroxy-24-oxocholan-24-yl]imino]di-3,1-propanediyl]bis-
CAS Number: 86303-23-3
Product Number: AG00IE04(AGN-PC-0V3VCE)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
862.068g/mol
XLogP3:
-2.1
Hydrogen Bond Donor Count:
14
Hydrogen Bond Acceptor Count:
15
Rotatable Bond Count:
22
Exact Mass:
861.52g/mol
Monoisotopic Mass:
861.52g/mol
Topological Polar Surface Area:
321A^2
Heavy Atom Count:
60
Formal Charge:
0
Complexity:
1350
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
18
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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