2-aminopropyl-[carboxy-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]azanium;acetate
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![2-aminopropyl-[carboxy-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]azanium;acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/abf16ff0e3f849e9b37fab7bbfb1f7e5.png "2-aminopropyl-[carboxy-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]azanium;acetate")
2-aminopropyl-[carboxy-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]azanium;acetate
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CAS No:
93806-84-9
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Formula:
C15H24N4O9
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Chemical Name:
2-aminopropyl-[carboxy-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]azanium;acetate
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Synonyms:
93806-84-9;Aminoalkyl UPOC analog;1-(5'-(((S)-2-Aminopropyl)amino)-5'-deoxy-beta -D-allofuranosyluronic acid)uracil Hydrogen Acetate;1-[5'-[[(S)-2-Aminopropyl]amino]-5'-deoxy-.beta. -D-allofuranosyluronic acid]uracil Hydrogen Acetate;2-(2-aminopropylamino)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
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CAS No:
2-aminopropyl-[carboxy-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]azanium;acetate Basic Attributes
404.37 g/mol
404.15432836 g/mol
Computed Properties
Molecular Weight:404.37
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:404.15432836
Monoisotopic Mass:404.15432836
Topological Polar Surface Area:219
Heavy Atom Count:28
Complexity:580
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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