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N-(1)-[(E)-4-DIHYDROXYPHOSPHONYLBUT-2-ENYL]-THYMINE
SpectraBase Compound ID Dft7klxjRaz
InChI InChI=1S/C9H13N2O5P/c1-7-6-11(9(13)10-8(7)12)4-2-3-5-17(14,15)16/h2-3,6H,4-5H2,1H3,(H,10,12,13)(H2,14,15,16)/b3-2+
InChIKey YKUCVYAJEHGNTI-NSCUHMNNSA-N
Mol Weight 260.19 g/mol
Molecular Formula C9H13N2O5P
Exact Mass 260.056209 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ofDQfVUAvZ
Name N-(1)-[(E)-4-DIHYDROXYPHOSPHONYLBUT-2-ENYL]-THYMINE
Compound Number 9E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11N2O5P
InChI InChI=1S/C9H13N2O5P/c1-7-6-11(9(13)10-8(7)12)4-2-3-5-17(14,15)16/h2-3,6H,4-5H2,1H3,(H,10,12,13)(H2,14,15,16)/b3-2+
InChIKey YKUCVYAJEHGNTI-NSCUHMNNSA-N
Literature Reference Author D.TOPALIS,U.PRADERE,V.ROY,C.CAILLAT,A.AZZOUZI,J.BROGGI,R.SNO ECK,G.ANDREI,J.LIN,J
Literature Reference Citation J.MED.CHEM.,54,222(2011)
Literature Reference DOI 10.1021/jm1011462
Solvent CD3OD
Source File Reference UWMZ40604