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5'-O-(3'-DEOXY-2',3'-DIDEHYDROTHYMIDINYL)-O-(2-METHYLPHENYL)-N-[(S)-METHOXYALANINYL]-PHOSPHOROCHLORIDATE
SpectraBase Compound ID HNZSYFJ1Sr5
InChI InChI=1S/C21H26N3O8P/c1-13-7-5-6-8-17(13)32-33(28,23-15(3)20(26)29-4)30-12-16-9-10-18(31-16)24-11-14(2)19(25)22-21(24)27/h5-11,15-16,18H,12H2,1-4H3,(H,23,28)(H,22,25,27)
InChIKey RAHPAHJMGIREBU-UHFFFAOYSA-N
Mol Weight 479.43 g/mol
Molecular Formula C21H26N3O8P
Exact Mass 479.145752 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJetcTWVZgB
Name 5'-O-(3'-DEOXY-2',3'-DIDEHYDROTHYMIDINYL)-O-(2-METHYLPHENYL)-N-[(S)-METHOXYALANINYL]-PHOSPHOROCHLORIDATE
Compound Number (RP)-8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N3O8P
InChI InChI=1S/C21H26N3O8P/c1-13-7-5-6-8-17(13)32-33(28,23-15(3)20(26)29-4)30-12-16-9-10-18(31-16)24-11-14(2)19(25)22-21(24)27/h5-11,15-16,18H,12H2,1-4H3,(H,23,28)(H,22,25,27)
InChIKey RAHPAHJMGIREBU-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 UWMZ40566