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Home Other Building Blocks 53864-51-0
53864-51-0
Catalog No.:AA00DF7J

53864-51-0 | N-Des(diMethyl)-4-epi-tetracycline

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Technical Information
Catalog Number:
AA00DF7J
Chemical Name:
N-Des(diMethyl)-4-epi-tetracycline
CAS Number:
53864-51-0
Molecular Formula:
C20H20N2O8
Molecular Weight:
416.3814
SMILES:
NC(=O)C1=C(O)[C@@]2([C@H]([C@H](C1=O)N)C[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O
Properties
Computed Properties
 
Complexity:
926  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
7  
Rotatable Bond Count:
1  
XLogP3:
-2.9  

Literature
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Additional Info:
SDS
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