2-(5-fluoro-2,4-dinitroanilino)-3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoic acid
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![2-(5-fluoro-2,4-dinitroanilino)-3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f126099384bd48c9abb60ede2209de49.png "2-(5-fluoro-2,4-dinitroanilino)-3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoic acid")
2-(5-fluoro-2,4-dinitroanilino)-3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoic acid
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CAS No:
72156-20-8
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Formula:
C17H19FN5O11P
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Chemical Name:
2-(5-fluoro-2,4-dinitroanilino)-3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoic acid
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Synonyms:
alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate;FPD-PDAP;72156-20-8;Fpd-pdap;alpha-N-Fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate;DTXSID80992878;Alanine, N-(5-fluoro-2,4-dinitrophenyl)-3-(((3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methyl)amino)-;DL-Alanine, N-(5-fluoro-2,4-dinitrophenyl)-3-(((3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methyl)amino)-;N-(5-Fluoro-2,4-dinitrophenyl)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]alanine
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CAS No:
2-(5-fluoro-2,4-dinitroanilino)-3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoic acid Basic Attributes
519.3 g/mol
519.08027160 g/mol
Computed Properties
Molecular Weight:519.3
XLogP3:-1.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:10
Exact Mass:519.08027160
Monoisotopic Mass:519.08027160
Topological Polar Surface Area:253
Heavy Atom Count:35
Complexity:808
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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