2-[4,7,10-tris(carboxymethyl)-6-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
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![2-[4,7,10-tris(carboxymethyl)-6-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8eba5d97c7ea4356ae53bac45fafcc36.png "2-[4,7,10-tris(carboxymethyl)-6-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid")
2-[4,7,10-tris(carboxymethyl)-6-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
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CAS No:
123317-51-1
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Formula:
C23H33N5O10
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Chemical Name:
2-[4,7,10-tris(carboxymethyl)-6-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
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Synonyms:
2-(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid;nitrobenzyl-DOTA;123317-51-1;Nitrobenzyl-dota;Nitrobenzyl DOTA;ACMC-20mqi6;CHEMBL318658;SCHEMBL3420319;DTXSID10924460;1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraaceticacid, 2-[(4-nitrophenyl)methyl]-;2-((4-Nitrophenyl)methyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid;2-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid;2-[4,7,10-tris(carboxymethyl)-6-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-((4-nitrophenyl)methyl)-;2,2',2'',2'''-{2-[(4-Nitrophenyl)methyl]-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl}tetraacetic acid
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CAS No:
2-[4,7,10-tris(carboxymethyl)-6-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Basic Attributes
539.5 g/mol
539.22274227 g/mol
Computed Properties
Molecular Weight:539.5
XLogP3:-8.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:10
Exact Mass:539.22274227
Monoisotopic Mass:539.22274227
Topological Polar Surface Area:208
Heavy Atom Count:38
Complexity:830
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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