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(1'-S,2'-R,3'-S,4'-R,5'-S)-4'-(6-AMINO-2-CHLOROPURIN-9-YL)-2',3'-(DIHYDROXY)-1'-(METHYLPHOSPHONIC_ACID)-BICYCLO-[3.1.0]-HEXANE

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(1'-S,2'-R,3'-S,4'-R,5'-S)-4'-(6-AMINO-2-CHLOROPURIN-9-YL)-2',3'-(DIHYDROXY)-1'-(METHYLPHOSPHONIC_ACID)-BICYCLO-[3.1.0]-HEXANE
SpectraBase Compound ID EyoXVPrZgYG
InChI InChI=1S/C13H17ClN5O4P/c1-24(22,23)3-13-2-5(13)7(8(20)9(13)21)19-4-16-6-10(15)17-12(14)18-11(6)19/h4-5,7-9,20-21H,2-3H2,1H3,(H,22,23)(H2,15,17,18)/t5-,7-,8+,9+,13+/m1/s1
InChIKey SYZABTSEPKKCPM-XEMBYONJSA-N
Mol Weight 373.74 g/mol
Molecular Formula C13H17ClN5O4P
Exact Mass 373.070669 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SVKRiYnQ62
Name (1'-S,2'-R,3'-S,4'-R,5'-S)-4'-(6-AMINO-2-CHLOROPURIN-9-YL)-2',3'-(DIHYDROXY)-1'-(METHYLPHOSPHONIC_ACID)-BICYCLO-[3.1.0]-HEXANE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16ClN5O4P
InChI InChI=1S/C13H17ClN5O4P/c1-24(22,23)3-13-2-5(13)7(8(20)9(13)21)19-4-16-6-10(15)17-12(14)18-11(6)19/h4-5,7-9,20-21H,2-3H2,1H3,(H,22,23)(H2,15,17,18)/t5-,7-,8+,9+,13+/m1/s1
InChIKey SYZABTSEPKKCPM-XEMBYONJSA-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 UWMZ46408