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(+/-)-TRANS-1,1-DIFLUORO-2-[(3S*,4S*)-3-[(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-METHYL]-TETRAHYDRO-2H-PYRAN-4-YL]-ETHYLPHOSPHONIC-ACID

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(+/-)-TRANS-1,1-DIFLUORO-2-[(3S*,4S*)-3-[(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-METHYL]-TETRAHYDRO-2H-PYRAN-4-YL]-ETHYLPHOSPHONIC-ACID
SpectraBase Compound ID 4sPpeX9YlxN
InChI InChI=1S/C13H17F2N4O5P/c14-13(15,25(21,22)23)3-8-1-2-24-5-9(8)4-19-7-18-10-11(19)16-6-17-12(10)20/h6-9H,1-5H2,(H,16,17,20)(H2,21,22,23)/t8-,9+/m1/s1
InChIKey JNIMYYSKDBUOIP-BDAKNGLRSA-N
Mol Weight 378.27 g/mol
Molecular Formula C13H17F2N4O5P
Exact Mass 378.090463 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CbqgfsggrlI
Name (+/-)-TRANS-1,1-DIFLUORO-2-[(3S*,4S*)-3-[(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-METHYL]-TETRAHYDRO-2H-PYRAN-4-YL]-ETHYLPHOSPHONIC-ACID
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15F2N4O5P
InChI InChI=1S/C13H17F2N4O5P/c14-13(15,25(21,22)23)3-8-1-2-24-5-9(8)4-19-7-18-10-11(19)16-6-17-12(10)20/h6-9H,1-5H2,(H,16,17,20)(H2,21,22,23)/t8-,9+/m1/s1
InChIKey JNIMYYSKDBUOIP-BDAKNGLRSA-N
Literature Reference Author T.YOKOMATSU,Y.HAYAKAWA,T.KIHARA,S.KOYANAGI,S.SOEDA,H.SHIMENO ,S.SHIBUYA
Literature Reference Citation BIOORG.MED.CHEM.,8,2571(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00192-9
Solvent CD3OD
Source File Reference UWVN20534