[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate
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![[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9bfc640a8134444d9f3e107d7ea93caf.png "[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate")
[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate
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CAS No:
133906-27-1
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Formula:
C11H17N3O12S2
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Chemical Name:
[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate
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Synonyms:
1-TGADS;1-thyminyl-D-glucosamine-4,6-disulfate;1-thyminylglucosamine-4,6-disulfate;1-Thyminylglucosamine-4,6-disulfate;133906-27-1;1-Tgads;1-Thyminyl-D-glucosamine-4,6-disulfate;DTXSID40158413;2,4(1H,3H)-Pyrimidinedione, 1-(2-amino-2-deoxy-4,6-di-O-sulfo-beta-D-glucopyranosyl)-5-methyl-
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CAS No:
[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate Basic Attributes
447.4 g/mol
447.02536533 g/mol
DTXSID40158413
Computed Properties
Molecular Weight:447.4
XLogP3:-6.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:6
Exact Mass:447.02536533
Monoisotopic Mass:447.02536533
Topological Polar Surface Area:249
Heavy Atom Count:28
Complexity:874
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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