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5'-O-(3'-DEOXY-2',3'-DIDEHYDROTHYMIDINYL)-O-(4-METHOXYPHENYL)-N-[(S)-METHOXYALANINYL]-PHOSPHOROCHLORIDATE
SpectraBase Compound ID 51s2tAONU0t
InChI InChI=1S/C21H26N3O9P/c1-13-11-24(21(27)22-19(13)25)18-10-9-17(32-18)12-31-34(28,23-14(2)20(26)30-4)33-16-7-5-15(29-3)6-8-16/h5-11,14,17-18H,12H2,1-4H3,(H,23,28)(H,22,25,27)
InChIKey ZXSVYVWRZXSVLR-UHFFFAOYSA-N
Mol Weight 495.42 g/mol
Molecular Formula C21H26N3O9P
Exact Mass 495.140666 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpuXZoMApXP
Name 5'-O-(3'-DEOXY-2',3'-DIDEHYDROTHYMIDINYL)-O-(4-METHOXYPHENYL)-N-[(S)-METHOXYALANINYL]-PHOSPHOROCHLORIDATE
Compound Number (SP)-8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N3O9P
InChI InChI=1S/C21H26N3O9P/c1-13-11-24(21(27)22-19(13)25)18-10-9-17(32-18)12-31-34(28,23-14(2)20(26)30-4)33-16-7-5-15(29-3)6-8-16/h5-11,14,17-18H,12H2,1-4H3,(H,23,28)(H,22,25,27)
InChIKey ZXSVYVWRZXSVLR-UHFFFAOYSA-N
Literature Reference Author C.A.ROMAN,J.BALZARINI,C.MEIER
Literature Reference Citation J.MED.CHEM.,53,7675(2010)
Literature Reference DOI 10.1021/jm100817f
Solvent CDCl3
Source File Reference UWMZ40563