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TRIMETHOPRIM-D9 MAJOR

CAS No.:
1189460-62-5
Catalog Number:
AG008W5A
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008W5A
Chemical Name:
TRIMETHOPRIM-D9 MAJOR
CAS Number:
1189460-62-5
MDL Number:
MFCD09841385
IUPAC Name:
5-[[3,4,5-tris(trideuteriomethoxy)phenyl]methyl]pyrimidine-2,4-diamine
InChI:
InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)/i1D3,2D3,3D3
InChI Key:
IEDVJHCEMCRBQM-GQALSZNTSA-N
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.194g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
9  
Molecular Weight:
299.378g/mol
Monoisotopic Mass:
299.194g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties