[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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![[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0428b3d2fbb64e77ab3aea74192d2138.png "[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate")
[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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CAS No:
124903-24-8
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Formula:
C9H13BrFN2O13P3
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Chemical Name:
[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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Synonyms:
3'F-5-Br-ddTTP;124903-24-8;2',3'-Dideoxy-3'-fluoro-5-bromouridine 5'-triphosphate;Uridine 5'-(tetrahydrogen triphosphate), 5-bromo-2',3'-dideoxy-3'-fluoro-;DTXSID70924961;2',3'-Dideoxy-3'-fluoro-5-bromouridine 5'-triphosphoric acid;[[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-fluoro-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate;5-Bromo-1-[2,3-dideoxy-3-fluoro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one
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CAS No:
[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Basic Attributes
549.03 g/mol
547.87979 g/mol
Computed Properties
Molecular Weight:549.03
XLogP3:-3.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:8
Exact Mass:547.87979
Monoisotopic Mass:547.87979
Topological Polar Surface Area:219
Heavy Atom Count:29
Complexity:863
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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