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(1'-S,2'-R,3'-S,4'-R,5'-S)-4'-(2,6-DICHLOROPURIN-9-YL)-1'-[DIISOPROPYL-(E)-ETHENYLPHOSPHONATE]-2',3'-O-(ISOPROPYLIDENE)-BICYCLO-[3.1.0]-HEXANE

View entire compound with spectra: 1 NMR

(1'-S,2'-R,3'-S,4'-R,5'-S)-4'-(2,6-DICHLOROPURIN-9-YL)-1'-[DIISOPROPYL-(E)-ETHENYLPHOSPHONATE]-2',3'-O-(ISOPROPYLIDENE)-BICYCLO-[3.1.0]-HEXANE
SpectraBase Compound ID 8VAH2R0VkTJ
InChI InChI=1S/C22H29Cl2N4O5P/c1-11(2)32-34(29,33-12(3)4)8-7-22-9-13(22)15(16-17(22)31-21(5,6)30-16)28-10-25-14-18(23)26-20(24)27-19(14)28/h7-8,10-13,15-17H,9H2,1-6H3/b8-7+/t13-,15-,16+,17+,22-/m1/s1
InChIKey SDHRUDZXBXIHOO-GGHGNDRSSA-N
Mol Weight 531.38 g/mol
Molecular Formula C22H29Cl2N4O5P
Exact Mass 530.125262 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gg0Zq0YYNH8
Name (1'-S,2'-R,3'-S,4'-R,5'-S)-4'-(2,6-DICHLOROPURIN-9-YL)-1'-[DIISOPROPYL-(E)-ETHENYLPHOSPHONATE]-2',3'-O-(ISOPROPYLIDENE)-BICYCLO-[3.1.0]-HEXANE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29Cl2N4O5P
InChI InChI=1S/C22H29Cl2N4O5P/c1-11(2)32-34(29,33-12(3)4)8-7-22-9-13(22)15(16-17(22)31-21(5,6)30-16)28-10-25-14-18(23)26-20(24)27-19(14)28/h7-8,10-13,15-17H,9H2,1-6H3/b8-7+/t13-,15-,16+,17+,22-/m1/s1
InChIKey SDHRUDZXBXIHOO-GGHGNDRSSA-N
Literature Reference Author T.S.KUMAR,S.Y.ZHOU,B.V.JOSHI,R.BALASUBRAMANIAN,T.YANG,B.T.LI ANG,K.A.JACOBSON
Literature Reference Citation J.MED.CHEM.,53,2562(2010)
Literature Reference DOI 10.1021/jm9018542
Solvent CDCl3
Source File Reference UWMZ46412