(2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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![(2R)-2-[[(2S)-2-aminopropanoyl]amino]-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/20220811/90e7728f84b84634a7de5558ce84fbca.png "(2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid")
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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CAS No:
93806-79-2
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Formula:
C13H18N4O8
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Chemical Name:
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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Synonyms:
93806-79-2;L-alanyl UPOC analog;1-(5'-(L-Alanylamino)-5'-deoxy-alpha-L-talofuranosyluronic acid)uracil;CHEMBL3706579;DTXSID40239711;1-[5'-(L-Alanylamino)-5'-deoxy-.alpha.-L-talofuranosyluronic acid]uracil;(2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid;.alpha.-L-Talofuranuronic acid, 5-[(2-amino-1-oxopropyl)amino]-1,5-dideoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, (S)-
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CAS No:
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-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
DTXSID40239711
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:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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