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

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(+/-)-TRANS-1,1-DIFLUORO-2-[(3S*,4S*)-4-[(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-METHYL]-TETRAHYDROFURAN-3-YL]-ETHYLPHOSPHONIC-ACID
SpectraBase Compound ID BZe0l0487y2
InChI InChI=1S/C12H15F2N4O5P/c13-12(14,24(20,21)22)1-7-3-23-4-8(7)2-18-6-17-9-10(18)15-5-16-11(9)19/h5-8H,1-4H2,(H,15,16,19)(H2,20,21,22)/t7-,8-/m0/s1
InChIKey FXZULIFCFHYXFH-YUMQZZPRSA-N
Mol Weight 364.25 g/mol
Molecular Formula C12H15F2N4O5P
Exact Mass 364.074813 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iozlfxf5Rnv
Name (+/-)-TRANS-1,1-DIFLUORO-2-[(3S*,4S*)-4-[(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-METHYL]-TETRAHYDROFURAN-3-YL]-ETHYLPHOSPHONIC-ACID
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13F2N4O5P
InChI InChI=1S/C12H15F2N4O5P/c13-12(14,24(20,21)22)1-7-3-23-4-8(7)2-18-6-17-9-10(18)15-5-16-11(9)19/h5-8H,1-4H2,(H,15,16,19)(H2,20,21,22)/t7-,8-/m0/s1
InChIKey FXZULIFCFHYXFH-YUMQZZPRSA-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 DMSO-D6
Source File Reference UWVN20532