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(1'-S,2'-R,3'-S,4'-R,5'-S)-4'-(6-AMINOPURIN-9-YL)-2',3'-(DIHYDROXY)-1'-(PHOSPHONOMETHYLENE)-BICYCLO-[3.1.0]-HEXANE
SpectraBase Compound ID Fcx43o4FoIq
InChI InChI=1S/C12H16N5O5P/c13-10-6-11(15-3-14-10)17(4-16-6)7-5-1-12(5,2-23(20,21)22)9(19)8(7)18/h3-5,7-9,18-19H,1-2H2,(H2,13,14,15)(H2,20,21,22)/t5-,7-,8+,9+,12+/m1/s1
InChIKey HIZZCJKTNRIIFW-PHPBVZTRSA-N
Mol Weight 341.26 g/mol
Molecular Formula C12H16N5O5P
Exact Mass 341.088906 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yvq8Ub5Lg5
Name (1'-S,2'-R,3'-S,4'-R,5'-S)-4'-(6-AMINOPURIN-9-YL)-2',3'-(DIHYDROXY)-1'-(PHOSPHONOMETHYLENE)-BICYCLO-[3.1.0]-HEXANE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14N5O5P
InChI InChI=1S/C12H16N5O5P/c13-10-6-11(15-3-14-10)17(4-16-6)7-5-1-12(5,2-23(20,21)22)9(19)8(7)18/h3-5,7-9,18-19H,1-2H2,(H2,13,14,15)(H2,20,21,22)/t5-,7-,8+,9+,12+/m1/s1
InChIKey HIZZCJKTNRIIFW-PHPBVZTRSA-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 UWMZ46403