[[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(5-methyltriazol-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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![[[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(5-methyltriazol-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/22ee87423f1643a8a1d95a727d153dcc.png "[[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(5-methyltriazol-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate")
[[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(5-methyltriazol-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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CAS No:
131673-56-8
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Formula:
C12H18N5O13P3
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Chemical Name:
[[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(5-methyltriazol-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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Synonyms:
3'-5-MeTriazol-ddUTP;Uridine 5'-(tetrahydrogen triphosphate), 2',3'-dideoxy-3'-(5-methyl-1H-1,2,3-triazol-1-yl)-;131673-56-8;2',3'-Dideoxy-3'-(5-methyl-1H-1,2,3-triazol-1-yl)uridine-5'-triphosphate;DTXSID80157182;3'-(5-Methyl-1H-1,2,3-triazol-1-yl)-2',3'-dideoxyuridine 5'-triphosphoric acid;[[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(5-methyltriazol-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
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CAS No:
[[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(5-methyltriazol-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Basic Attributes
533.22 g/mol
533.01139664 g/mol
DTXSID80157182
Computed Properties
Molecular Weight:533.22
XLogP3:-4.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:9
Exact Mass:533.01139664
Monoisotopic Mass:533.01139664
Topological Polar Surface Area:249
Heavy Atom Count:33
Complexity:957
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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