2-[2-[carboxymethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]amino]ethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]amino]acetic acid
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![2-[2-[carboxymethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]amino]ethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]amino]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b2d66432e691482f98ff9e3ff29968ff.png "2-[2-[carboxymethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]amino]ethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]amino]acetic acid")
2-[2-[carboxymethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]amino]ethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]amino]acetic acid
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CAS No:
88969-06-6
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Formula:
C22H30N4O8
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Chemical Name:
2-[2-[carboxymethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]amino]ethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]amino]acetic acid
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Synonyms:
N,N'-Dipyridoxylethylenediamine-N,N'-diacetic acid; PLED;
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CAS No:
2-[2-[carboxymethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]amino]ethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]amino]acetic acid Basic Attributes
478.49600
478.20636393 g/mol
DTXSID90237464
Computed Properties
Molecular Weight:478.5
XLogP3:-5.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:13
Exact Mass:478.20636393
Monoisotopic Mass:478.20636393
Topological Polar Surface Area:188
Heavy Atom Count:34
Complexity:602
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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