(2S)-2-[[(2R,3R)-2-amino-3-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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![(2S)-2-[[(2R,3R)-2-amino-3-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/567c54a8046144c6a10155ff8a16ae2b.png "(2S)-2-[[(2R,3R)-2-amino-3-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid")
(2S)-2-[[(2R,3R)-2-amino-3-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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CAS No:
93806-77-0
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Formula:
C20H24N4O10
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Chemical Name:
(2S)-2-[[(2R,3R)-2-amino-3-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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Synonyms:
93806-77-0;DTXSID90917759;Uracil Polyoxin C analog(UPOC analog);1-(5'-(((2S,3R)-3-Hydroxyhomotyrosyl)amino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil;(2S)-2-[[(2R,3R)-2-amino-3-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid;1-(5-{[2-Amino-1,3-dihydroxy-4-(4-hydroxyphenyl)butylidene]amino}-5-deoxyhexofuranuronosyl)-4-hydroxypyrimidin-2(1H)-one;1-[5'-[[(2S,3R)-3-Hydroxyhomotyrosyl]amino]-5'- deoxy-.beta.-D-allofuranosyluronic acid]uracil
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CAS No:
(2S)-2-[[(2R,3R)-2-amino-3-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid Basic Attributes
480.4 g/mol
480.14924298 g/mol
Computed Properties
Molecular Weight:480.4
XLogP3:-4.8
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:480.14924298
Monoisotopic Mass:480.14924298
Topological Polar Surface Area:232
Heavy Atom Count:34
Complexity:830
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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