2-Hydroxy-2-[(hydroxyphosphinyl)methyl]butanedioic acid
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![2-Hydroxy-2-[(hydroxyphosphinyl)methyl]butanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ff8517122297498993fe89799cd8a315.png "2-Hydroxy-2-[(hydroxyphosphinyl)methyl]butanedioic acid")
2-Hydroxy-2-[(hydroxyphosphinyl)methyl]butanedioic acid
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CAS No:
95114-79-7
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Formula:
C5H9O7P
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Chemical Name:
2-Hydroxy-2-[(hydroxyphosphinyl)methyl]butanedioic acid
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Synonyms:
Butanedioic acid,2-hydroxy-2-[(hydroxyphosphinyl)methyl]-;2-Hydroxy-2-[(hydroxyphosphinyl)methyl]butanedioic acid;2-Phosphinomethylmalic acid;126959-03-3
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CAS No:
Description
2-phosphinomethylmalic acid is a 2-hydroxydicarboxylic acid that is malic acid carrying an additional phosphinomethyl substituent at position 2. It has a role as a bacterial metabolite. It is a 2-hydroxydicarboxylic acid and a member of phosphinic acids. It derives from a malic acid. It is a conjugate acid of a 2-phosphinomethylmalate(3-).
Computed Properties
Molecular Weight:211.09
XLogP3:-2.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:211.00076459
Monoisotopic Mass:211.00076459
Topological Polar Surface Area:132
Heavy Atom Count:13
Formal Charge:1
Complexity:249
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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