2-[(2-amino-3-hydroxybutanoyl)amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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![2-[(2-amino-3-hydroxybutanoyl)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/20220811/2a62f89176574581b3cd2cea8284ffdf.png "2-[(2-amino-3-hydroxybutanoyl)amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid")
2-[(2-amino-3-hydroxybutanoyl)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:
93806-75-8
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Formula:
C14H20N4O9
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Chemical Name:
2-[(2-amino-3-hydroxybutanoyl)amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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Synonyms:
93806-75-8;L-threonyl UPOC analog;DTXSID00917760;1-(5'-(L-Threonylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil;1-[5'-(L-Threonylamino)-5'-deoxy-.beta.-D- allofuranosyluronic acid]uracil;1-{5-[(2-Amino-1,3-dihydroxybutylidene)amino]-5-deoxyhexofuranuronosyl}-4-hydroxypyrimidin-2(1H)-one;2-[(2-amino-3-hydroxy-butanoyl)amino]-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-amino-3-hydroxybutanoyl)amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid Basic Attributes
388.33 g/mol
388.12302823 g/mol
Computed Properties
Molecular Weight:388.33
XLogP3:-6.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:388.12302823
Monoisotopic Mass:388.12302823
Topological Polar Surface Area:212
Heavy Atom Count:27
Complexity:669
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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