[(1R,2R,3S)-2-fluoro-3-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
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![[(1R,2R,3S)-2-fluoro-3-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8aaf38c84ede4f47b510d055b50044d0.png "[(1R,2R,3S)-2-fluoro-3-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid")
[(1R,2R,3S)-2-fluoro-3-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
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CAS No:
135444-85-8
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Formula:
C11H18FN2O12P3
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Chemical Name:
[(1R,2R,3S)-2-fluoro-3-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
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Synonyms:
3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine;135444-85-8;2'-F-Cyclopentyl-T deriv.;DTXSID50159350;Triphosphoric acid, P-(((3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-2-fluorocyclopentyl)oxy)methyl) ester, (1alpha,2beta,3alpha)-;[(1R,2R,3S)-2-fluoro-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)cyclopentoxy]methyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid;Triphosphoric acid, P-[[[3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-2-fluorocyclopentyl]oxy]methyl] ester, (1a,2b,3a)-
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CAS No:
[(1R,2R,3S)-2-fluoro-3-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid Basic Attributes
482.19 g/mol
482.00566317 g/mol
DTXSID50159350
Computed Properties
Molecular Weight:482.19
XLogP3:-3.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:8
Exact Mass:482.00566317
Monoisotopic Mass:482.00566317
Topological Polar Surface Area:209
Heavy Atom Count:29
Complexity:858
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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