2-[5-[[1-(carboxymethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid
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![2-[5-[[1-(carboxymethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/acb26e903b9d4f5c883d3c7394033059.png "2-[5-[[1-(carboxymethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid")
2-[5-[[1-(carboxymethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid
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CAS No:
123533-63-1
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Formula:
C12H9N5O10
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Chemical Name:
2-[5-[[1-(carboxymethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid
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Synonyms:
1(2H)-Pyrimidineacetic acid,5-((1-(carboxymethyl)hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino)tetrahydro-2,4,6-trioxo; PDAA; Purpurate-3,3'-diacetic acid;
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CAS No:
2-[5-[[1-(carboxymethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid Basic Attributes
383.22700
383.03494150 g/mol
Computed Properties
Molecular Weight:383.23
XLogP3:-2.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:383.03494150
Monoisotopic Mass:383.03494150
Topological Polar Surface Area:220
Heavy Atom Count:27
Complexity:846
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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