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3'-AZIDO-3'-DEOXY-5'-O-(BIS-BENZYLOXY-PHOSPHORYL)-N(3)-[1-[5-(2,2,2-TRIFLUORO-ACETYLAMINO)-PENTYL]]-THYMIDINE
SpectraBase Compound ID LMrXnx24OZF
InChI InChI=1S/C31H36F3N6O8P/c1-22-18-40(30(43)39(28(22)41)16-10-4-9-15-36-29(42)31(32,33)34)27-17-25(37-38-35)26(48-27)21-47-49(44,45-19-23-11-5-2-6-12-23)46-20-24-13-7-3-8-14-24/h2-3,5-8,11-14,18,25-27H,4,9-10,15-17,19-21H2,1H3,(H,36,42)/t25-,26+,27+/m1/s1
InChIKey VHDOKAWJQDLYKY-PVHODMMVSA-N
Mol Weight 708.6 g/mol
Molecular Formula C31H36F3N6O8P
Exact Mass 708.228434 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JhuRfgP4cwx
Name 3'-AZIDO-3'-DEOXY-5'-O-(BIS-BENZYLOXY-PHOSPHORYL)-N(3)-[1-[5-(2,2,2-TRIFLUORO-ACETYLAMINO)-PENTYL]]-THYMIDINE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36F3N6O8P
InChI InChI=1S/C31H36F3N6O8P/c1-22-18-40(30(43)39(28(22)41)16-10-4-9-15-36-29(42)31(32,33)34)27-17-25(37-38-35)26(48-27)21-47-49(44,45-19-23-11-5-2-6-12-23)46-20-24-13-7-3-8-14-24/h2-3,5-8,11-14,18,25-27H,4,9-10,15-17,19-21H2,1H3,(H,36,42)/t25-,26+,27+/m1/s1
InChIKey VHDOKAWJQDLYKY-PVHODMMVSA-N
Literature Reference Author T.BROSSETTE,A.L.FAOU,L.GOUJON,A.VALLEIX,C.CREMINON,J.GRASSI, C.MIOSKOWSKI,L.LEBEA
Literature Reference Citation J.ORG.CHEM.,64,5083(1999)
Literature Reference DOI 10.1021/jo982502p
Solvent CDCl3
Source File Reference UWSI40253