2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid
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![2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/27456408062b463fb10f44f123c30daa.png "2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid")
2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid
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CAS No:
109232-36-2
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Formula:
C31H31N3O15
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Chemical Name:
2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid
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Synonyms:
nitr 5;nitr-5;Nitr-5;109232-36-2;nitr 5;ACMC-20cvbv;DTXSID60911047;2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid;Glycine,N-[2-[2-[2-[bis(carboxymethyl)amino]-5-[hydroxy(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-4-methylphenyl]-N-(carboxymethyl)-;2,2'-{[2-(2-{2-[Bis(carboxymethyl)amino]-5-[hydroxy(6-nitro-2H-1,3-benzodioxol-5-yl)methyl]phenoxy}ethoxy)-4-methylphenyl]azanediyl}diacetic acid;Glycine, N-(2-(2-(2-(bis(carboxymethyl)amino)-5-(hydroxy(6-nitro-1,3-benzodioxol-5-yl)methyl)phenoxy)ethoxy)-4-methylphenyl)-N-(carboxymethyl)-
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CAS No:
2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid Basic Attributes
685.6 g/mol
685.17551729 g/mol
Drug Information
Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS. (See all compounds classified as Chelating Agents.)
nitr 5
Computed Properties
Molecular Weight:685.6
XLogP3:3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:17
Exact Mass:685.17551729
Monoisotopic Mass:685.17551729
Topological Polar Surface Area:259
Heavy Atom Count:49
Complexity:1140
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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