[[(2R,3S,4R,5R)-5-[6-[(2-fluorobenzoyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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![[[(2R,3S,4R,5R)-5-[6-[(2-fluorobenzoyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6b77872f60364c708e1113aaf5f022f4.png "[[(2R,3S,4R,5R)-5-[6-[(2-fluorobenzoyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate")
[[(2R,3S,4R,5R)-5-[6-[(2-fluorobenzoyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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CAS No:
58084-02-9
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Formula:
C17H19FN5O14P3
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Chemical Name:
[[(2R,3S,4R,5R)-5-[6-[(2-fluorobenzoyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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Synonyms:
2-fluorobenzoyladenosine 5'-triphosphate;ortho-fluorobenzoyladenosine 5'-triphosphate;58084-02-9;2-Fluorobenzoyladenosine 5'-triphosphate;DTXSID40973663;ortho-Fluorobenzoyladenosine 5'-triphosphate;Adenosine 5'-(tetrahydrogen triphosphate), N-(2-fluorobenzoyl)-;6-{[(2-Fluorophenyl)(hydroxy)methylidene]amino}-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purine
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CAS No:
[[(2R,3S,4R,5R)-5-[6-[(2-fluorobenzoyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Basic Attributes
629.3 g/mol
629.01253945 g/mol
Computed Properties
Molecular Weight:629.3
XLogP3:-3.8
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:10
Exact Mass:629.01253945
Monoisotopic Mass:629.01253945
Topological Polar Surface Area:282
Heavy Atom Count:40
Complexity:1070
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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