[[(2R,3S,5R)-5-(5-chloro-2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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![[[(2R,3S,5R)-5-(5-chloro-2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d0b25cd86675465db5b962c09aa9a1df.png "[[(2R,3S,5R)-5-(5-chloro-2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate")
[[(2R,3S,5R)-5-(5-chloro-2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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CAS No:
124903-23-7
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Formula:
C9H13ClFN2O13P3
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Chemical Name:
[[(2R,3S,5R)-5-(5-chloro-2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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Synonyms:
3'F-5-Cl-ddTTP;124903-23-7;2',3'-Dideoxy-3'-fluoro-5-chlorouridine 5'-triphosphate;Uridine 5'-(tetrahydrogen triphosphate), 5-chloro-2',3'-dideoxy-3'-fluoro-;DTXSID10924960;[[(2R,3S,5R)-5-(5-chloro-2,4-dioxo-pyrimidin-1-yl)-3-fluoro-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate;5-Chloro-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-chloro-2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Basic Attributes
504.58 g/mol
503.9303053 g/mol
Computed Properties
Molecular Weight:504.58
XLogP3:-3.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:8
Exact Mass:503.9303053
Monoisotopic Mass:503.9303053
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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