1-Hydroxy-3-nitrodeamino Fingolimod


Chemical Name: 1-Hydroxy-3-nitrodeamino Fingolimod
CAS Number: 899822-99-2
Product Number: AG00GXMK(AGN-PC-0WAJUE)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
353.459g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
12
Exact Mass:
353.22g/mol
Monoisotopic Mass:
353.22g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
359
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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


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