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(1'-S,2'-R,3'-S,4'-R,5'-S)-4'-(6-AMINOPURIN-9-YL)-2',3'-(DIHYDROXY)-1'-(PHOSPHONOETHENYL)-BICYCLO-[3.1.0]-HEXANE
SpectraBase Compound ID 5Po4THgbWFS
InChI InChI=1S/C13H18N5O5P/c14-11-7-12(16-4-15-11)18(5-17-7)8-6-3-13(6,10(20)9(8)19)1-2-24(21,22)23/h4-6,8-10,19-20H,1-3H2,(H2,14,15,16)(H2,21,22,23)/t6-,8-,9+,10+,13-/m1/s1
InChIKey CGGYFPJFFCLMTB-KSQAWJTCSA-N
Mol Weight 355.29 g/mol
Molecular Formula C13H18N5O5P
Exact Mass 355.104556 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5F3UKwROvdb
Name (1'-S,2'-R,3'-S,4'-R,5'-S)-4'-(6-AMINOPURIN-9-YL)-2',3'-(DIHYDROXY)-1'-(PHOSPHONOETHENYL)-BICYCLO-[3.1.0]-HEXANE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16N5O5P
InChI InChI=1S/C13H18N5O5P/c14-11-7-12(16-4-15-11)18(5-17-7)8-6-3-13(6,10(20)9(8)19)1-2-24(21,22)23/h4-6,8-10,19-20H,1-3H2,(H2,14,15,16)(H2,21,22,23)/t6-,8-,9+,10+,13-/m1/s1
InChIKey CGGYFPJFFCLMTB-KSQAWJTCSA-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 D2O
Source File Reference UWMZ46407