1-(1H-Imidazol-5-yl)-3-(phosphonooxy)-2-propanone
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1-(1H-Imidazol-5-yl)-3-(phosphonooxy)-2-propanone
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CAS No:
99979-59-6
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Formula:
C6H9N2O5P
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Chemical Name:
1-(1H-Imidazol-5-yl)-3-(phosphonooxy)-2-propanone
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Synonyms:
2-Propanone,1-(1H-imidazol-5-yl)-3-(phosphonooxy)-;2-Propanone,1-hydroxy-3-(imidazol-4-yl)-,1-phosphate;1-(1H-Imidazol-5-yl)-3-(phosphonooxy)-2-propanone;3-(Imidazol-4-yl)-2-oxopropyl phosphate
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CAS No:
Description
Solid
3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate is an oxoalkyl phosphate and a member of imidazoles. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 3-(imidazol-4-yl)-2-oxopropyl phosphate(2-).
Computed Properties
Molecular Weight:220.12
XLogP3:-2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:220.02490839
Monoisotopic Mass:220.02490839
Topological Polar Surface Area:113
Heavy Atom Count:14
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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