[(2R,3S,4R,5R)-5-(2,6-dioxo-7H-purin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
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![[(2R,3S,4R,5R)-5-(2,6-dioxo-7H-purin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cdd478d2ec534ddfa2b3df99cb224662.png "[(2R,3S,4R,5R)-5-(2,6-dioxo-7H-purin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid")
[(2R,3S,4R,5R)-5-(2,6-dioxo-7H-purin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
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CAS No:
135078-46-5
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Formula:
C14H17N6O8P
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Chemical Name:
[(2R,3S,4R,5R)-5-(2,6-dioxo-7H-purin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
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Synonyms:
2-MeImpiX;3-isoxanthosine 5'-phospho-2-methylimidazole;2-Meimpix;135078-46-5;3-Isoxanthosine 5'-phospho-2-methylimidazole;DTXSID40928875;6-Hydroxy-3-{5-O-[hydroxy(2-methyl-1H-imidazol-1-yl)phosphoryl]pentofuranosyl}-3,9-dihydro-2H-purin-2-one
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CAS No:
[(2R,3S,4R,5R)-5-(2,6-dioxo-7H-purin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid Basic Attributes
428.29 g/mol
428.08454852 g/mol
Computed Properties
Molecular Weight:428.29
XLogP3:-2.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:428.08454852
Monoisotopic Mass:428.08454852
Topological Polar Surface Area:192
Heavy Atom Count:29
Complexity:728
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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