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2-CHLORO-3-DEAZA-N-(6)-METHYLADENOSINE_MONOPHOSPHATE

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2-CHLORO-3-DEAZA-N-(6)-METHYLADENOSINE_MONOPHOSPHATE
SpectraBase Compound ID DqQuuEVkxYL
InChI InChI=1S/C12H16ClN4O7P.N/c1-14-11-8-5(2-7(13)16-11)17(4-15-8)12-10(19)9(18)6(24-12)3-23-25(20,21)22;/h2,4,6,9-10,12,18-19H,3H2,1H3,(H,14,16)(H2,20,21,22);/q;+1/p-1/t6-,9-,10-,12-;/m1./s1
InChIKey PNMHCYYZPUJLIT-OVFHRJCNSA-M
Mol Weight 407.71 g/mol
Molecular Formula C12H15ClN5O7P
Exact Mass 407.039763 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8W5sYov2BPh
Name 2-CHLORO-3-DEAZA-N-(6)-METHYLADENOSINE_MONOPHOSPHATE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14ClN5O7P
InChI InChI=1S/C12H16ClN4O7P.N/c1-14-11-8-5(2-7(13)16-11)17(4-15-8)12-10(19)9(18)6(24-12)3-23-25(20,21)22;/h2,4,6,9-10,12,18-19H,3H2,1H3,(H,14,16)(H2,20,21,22);/q;+1/p-1/t6-,9-,10-,12-;/m1./s1
InChIKey PNMHCYYZPUJLIT-OVFHRJCNSA-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 UWMZ46019