2-[4,7-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)
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![2-[4,7-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b5e6c5a99be341329237017baf9f690f.png "2-[4,7-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)")
2-[4,7-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)
structure -
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CAS No:
112188-16-6
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Formula:
C14H23GdN4O6
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Chemical Name:
2-[4,7-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)
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Synonyms:
112188-16-6;UNII-3JHB4H1GFV;3JHB4H1GFV;MOLI000606;Gadobutrol Impurity 3;SCHEMBL1052374;Des(2-Hydroxypropyl) Gadoteridol;Gadolinium(III) 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
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CAS No:
2-[4,7-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+) Basic Attributes
500.6 g/mol
501.08587 g/mol
3JHB4H1GFV
Computed Properties
Molecular Weight:500.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:3
Exact Mass:501.08587
Monoisotopic Mass:501.08587
Topological Polar Surface Area:142
Heavy Atom Count:25
Complexity:387
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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