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(+/-)-5-(6-AMINO-9H-PURIN-9-YL)-1-[PHOSPHORYLOXYMETHYL]-BICYCLO-[3.1.0]-HEXANE-2,3-DIOL
SpectraBase Compound ID GjKWhNfrsD0
InChI InChI=1S/C12H16N5O6P/c13-10-7-11(15-3-14-10)17(4-16-7)12-1-6(12)5(8(18)9(12)19)2-23-24(20,21)22/h3-6,8-9,18-19H,1-2H2,(H2,13,14,15)(H2,20,21,22)/t5-,6-,8+,9+,12+/m1/s1
InChIKey DSJWBZWMSATVRM-ANBGNZKNSA-N
Mol Weight 357.26 g/mol
Molecular Formula C12H16N5O6P
Exact Mass 357.08382 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HdGU00r25LN
Name (+/-)-5-(6-AMINO-9H-PURIN-9-YL)-1-[PHOSPHORYLOXYMETHYL]-BICYCLO-[3.1.0]-HEXANE-2,3-DIOL
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14N5O6P
InChI InChI=1S/C12H16N5O6P/c13-10-7-11(15-3-14-10)17(4-16-7)12-1-6(12)5(8(18)9(12)19)2-23-24(20,21)22/h3-6,8-9,18-19H,1-2H2,(H2,13,14,15)(H2,20,21,22)/t5-,6-,8+,9+,12+/m1/s1
InChIKey DSJWBZWMSATVRM-ANBGNZKNSA-N
Literature Reference Author H.S.KIM,R.G.RAVI,V.E.MARQUEZ,S.MADDILETI,A.K.WIHLBORG,D.ERLI NGE,M.MALMSJOE,J.L.B
Literature Reference Citation J.MED.CHEM.,45,208(2002)
Literature Reference DOI 10.1021/jm010369e
Solvent D2O
Source File Reference UWLU64481