2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
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![2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/db88f8e0dac344bbb59def63acb97c1b.png "2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid")
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
structure -
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CAS No:
1416649-38-1
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Formula:
C22H39N5O12
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Chemical Name:
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
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Synonyms:
1416649-38-1;2,2',2''-(10-(2-Oxo-2-(((2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)amino)ethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
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CAS No:
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Basic Attributes
565.6 g/mol
565.25952170 g/mol
Computed Properties
Molecular Weight:565.6
XLogP3:-11.5
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:14
Exact Mass:565.25952170
Monoisotopic Mass:565.25952170
Topological Polar Surface Area:252
Heavy Atom Count:39
Complexity:786
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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