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N(1)-[(5''-PHOSPHONOXYETHOXY)-METHYL]-N(9)-[(5'-PHOSPHONOXYETHOXY)-METHYL]-8-TRIFLUOROMETHYL-INOSINE
SpectraBase Compound ID 8mdAGq3KYOq
InChI InChI=1S/C12H17F3N4O11P2/c13-12(14,15)11-17-8-9(19(11)7-28-2-4-30-32(24,25)26)16-5-18(10(8)20)6-27-1-3-29-31(21,22)23/h5H,1-4,6-7H2,(H2,21,22,23)(H2,24,25,26)
InChIKey HNDLPLKVZFLZFM-UHFFFAOYSA-N
Mol Weight 512.23 g/mol
Molecular Formula C12H17F3N4O11P2
Exact Mass 512.032116 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33Yw3G6rVUd
Name N(1)-[(5''-PHOSPHONOXYETHOXY)-METHYL]-N(9)-[(5'-PHOSPHONOXYETHOXY)-METHYL]-8-TRIFLUOROMETHYL-INOSINE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13F3N4O11P2
InChI InChI=1S/C12H17F3N4O11P2/c13-12(14,15)11-17-8-9(19(11)7-28-2-4-30-32(24,25)26)16-5-18(10(8)20)6-27-1-3-29-31(21,22)23/h5H,1-4,6-7H2,(H2,21,22,23)(H2,24,25,26)
InChIKey HNDLPLKVZFLZFM-UHFFFAOYSA-N
Literature Reference Author X.HUANG,M.DONG,J.LIU,K.ZHANG,Z.YANG,L.ZHANG,L.ZHANG
Literature Reference Citation MOLECULES,15,8689(2010)
Literature Reference DOI 10.3390/molecules15128689
Solvent D2O
Source File Reference UWLU72704