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23224-46-6
Catalog No.:AA002MI4

23224-46-6 | Benzenebutanoic acid, α,2-diamino-3-(β-D-glucopyranosyloxy)-γ-oxo-

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Technical Information
Catalog Number:
AA002MI4
Chemical Name:
Benzenebutanoic acid, α,2-diamino-3-(β-D-glucopyranosyloxy)-γ-oxo-
CAS Number:
23224-46-6
Molecular Formula:
C16H22N2O9
Molecular Weight:
386.3539
SMILES:
OC[C@H]1O[C@@H](Oc2cccc(c2N)C(=O)CC(C(=O)O)N)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Computed Properties
 
Complexity:
684  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
4  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
XLogP3:
6.1  

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Tags:23224-46-6 Molecular Formula|23224-46-6 MDL|23224-46-6 SMILES|23224-46-6 Benzenebutanoic acid, α,2-diamino-3-(β-D-glucopyranosyloxy)-γ-oxo-