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2-CHLORO-N-(6)-METHYLADENOSINE_MONOPHOSPHATE

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2-CHLORO-N-(6)-METHYLADENOSINE_MONOPHOSPHATE
SpectraBase Compound ID 5uRmWhzzs8A
InChI InChI=1S/C11H15ClN5O7P.N/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(19)6(18)4(24-10)2-23-25(20,21)22;/h3-4,6-7,10,18-19H,2H2,1H3,(H,13,15,16)(H2,20,21,22);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1
InChIKey IKNWMJIUHUZZDW-MCDZGGTQSA-M
Mol Weight 408.69 g/mol
Molecular Formula C11H14ClN6O7P
Exact Mass 408.035012 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4kdcEyavKbr
Name 2-CHLORO-N-(6)-METHYLADENOSINE_MONOPHOSPHATE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H13ClN6O7P
InChI InChI=1S/C11H15ClN5O7P.N/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(19)6(18)4(24-10)2-23-25(20,21)22;/h3-4,6-7,10,18-19H,2H2,1H3,(H,13,15,16)(H2,20,21,22);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1
InChIKey IKNWMJIUHUZZDW-MCDZGGTQSA-M
Literature Reference Author E.CALLERI,S.CERUTI,G.CRISTALLI,C.MARTINI,C.TEMPORINI,C.PARRA VICINI,R.VOLPINI,S.D
Literature Reference Citation J.MED.CHEM.,53,3489(2010)
Literature Reference DOI 10.1021/jm901691y
Solvent D2O
Source File Reference UWMZ46018