2-[4,10-bis(carboxymethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
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2-[4,10-bis(carboxymethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
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CAS No:
151852-61-8
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Formula:
C18H34N4O9
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Chemical Name:
2-[4,10-bis(carboxymethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
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Synonyms:
Butrol;151852-61-8;2-[4,10-bis(carboxymethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;SCHEMBL16479551;ZINC22446966;1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-((1R,2S)-2,3-dihydroxy-1-(hydroxymethyl)propyl)-, rel-;1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-(2,3-dihydroxy-1-(hydroxymethyl)propyl)-, (R*,S*)-(+/-)-;Q27289280;UNII-SMG09YI7I8 component JZNZSKXIEDHOBD-HUUCEWRRSA-N;1-[(2R,3S)-1,3,4-Trihydroxybutan-2-yl]-1,4,7,10-tetraazacyclododecane-4,7,10-trisacetic acid;rel-10-[(1R,2S)-2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic Acid;rel-2,2',2''-(10-((2R,3S)-1,3,4-Trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
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CAS No:
2-[4,10-bis(carboxymethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Basic Attributes
450.5 g/mol
450.23257867 g/mol
Computed Properties
Molecular Weight:450.5
XLogP3:-9.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:10
Exact Mass:450.23257867
Monoisotopic Mass:450.23257867
Topological Polar Surface Area:186
Heavy Atom Count:31
Complexity:548
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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