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Home  > Gadolinium,[5,8-bis[(carboxy-kO)methyl]-11-[2-(methylamino)-2-(oxo-kO)ethyl]-3-(oxo-kO)-2,5,8,11-tetraazatridecan-13-oato(3-)-kN5,kN8,kN11,kO13]-

AI29834

131410-48-5 | Gadolinium,[5,8-bis[(carboxy-kO)methyl]-11-[2-(methylamino)-2-(oxo-kO)ethyl]-3-(oxo-kO)-2,5,8,11-tetraazatridecan-13-oato(3-)-kN5,kN8,kN11,kO13]-

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Description
Catalog Number: AI29834
Chemical Name: Gadolinium,[5,8-bis[(carboxy-kO)methyl]-11-[2-(methylamino)-2-(oxo-kO)ethyl]-3-(oxo-kO)-2,5,8,11-tetraazatridecan-13-oato(3-)-kN5,kN8,kN11,kO13]-
CAS Number: 131410-48-5
Molecular Formula: C16H26GdN5O8
Molecular Weight: 573.6563
MDL Number: MFCD12912458
SMILES: CNC(=O)CN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)NC)CC(=O)[O-].[Gd+3]

 

Computed Properties
Complexity: 527  
Covalently-Bonded Unit Count: 2  
Heavy Atom Count: 30  
Hydrogen Bond Acceptor Count: 11  
Hydrogen Bond Donor Count: 2  
Rotatable Bond Count: 13  

 

 

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