2-(2-aminopropanoylamino)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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![2-(2-aminopropanoylamino)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1c13206e2ba44c1a866aebabd613d627.png "2-(2-aminopropanoylamino)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid")
2-(2-aminopropanoylamino)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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CAS No:
93806-72-5
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Formula:
C13H18N4O8
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Chemical Name:
2-(2-aminopropanoylamino)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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Synonyms:
93806-72-5;L-alanyl UPOC analog;DTXSID60917761;1-(5'-(L-Alanylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil;1-[5'-(L-Alanylamino)-5'- deoxy-.beta.-D- allofuranosyluronic acid]uracil;1-{5-[(2-Amino-1-hydroxypropylidene)amino]-5-deoxyhexofuranuronosyl}-4-hydroxypyrimidin-2(1H)-one;2-(2-aminopropanoylamino)-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-(2-aminopropanoylamino)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid Basic Attributes
358.30 g/mol
358.11246355 g/mol
Computed Properties
Molecular Weight:358.30
XLogP3:-5.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:358.11246355
Monoisotopic Mass:358.11246355
Topological Polar Surface Area:192
Heavy Atom Count:25
Complexity:623
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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