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Home Deuterated Building Blocks 432545-62-5
432545-62-5,MFCD08063572
Catalog No.:AA00748E

432545-62-5 | 7-Hydroxy Methotrexate-d3

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Technical Information
Catalog Number:
AA00748E
Chemical Name:
7-Hydroxy Methotrexate-d3
CAS Number:
432545-62-5
Molecular Formula:
C20H19D3N8O6
Molecular Weight:
473.4572
MDL Number:
MFCD08063572
SMILES:
OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(C([2H])([2H])[2H])Cc1nc2c(N)nc(nc2nc1O)N
Properties
Computed Properties
 
Complexity:
830  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
3  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-0.8  

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SDS
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Tags:432545-62-5 Molecular Formula|432545-62-5 MDL|432545-62-5 SMILES|432545-62-5 7-Hydroxy Methotrexate-d3