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[(2R,3S,5R)-5-[2,4-diketo-5-[(2-keto-3,5-dimethyl-pyrimidin-4-yl)methyl]pyrimidin-1-yl]-2-methylol-tetrahydrofuran-3-yl]oxy-methyl-phosphinic acid

View entire compound with spectra: 1 NMR

[(2R,3S,5R)-5-[2,4-diketo-5-[(2-keto-3,5-dimethyl-pyrimidin-4-yl)methyl]pyrimidin-1-yl]-2-methylol-tetrahydrofuran-3-yl]oxy-methyl-phosphinic acid
SpectraBase Compound ID BlcyKZlpBI0
InChI InChI=1S/C17H23N4O8P/c1-9-6-18-16(24)20(2)11(9)4-10-7-21(17(25)19-15(10)23)14-5-12(13(8-22)28-14)29-30(3,26)27/h6-7,12-14,22H,4-5,8H2,1-3H3,(H,26,27)(H,19,23,25)/t12-,13+,14+/m0/s1
InChIKey IYGNVVMDQJDAMU-BFHYXJOUSA-N
Mol Weight 442.36 g/mol
Molecular Formula C17H23N4O8P
Exact Mass 442.125351 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BnODTSKZkwO
Name [(2R,3S,5R)-5-[2,4-diketo-5-[(2-keto-3,5-dimethyl-pyrimidin-4-yl)methyl]pyrimidin-1-yl]-2-methylol-tetrahydrofuran-3-yl]oxy-methyl-phosphinic acid
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22N4O8P
InChI InChI=1S/C17H23N4O8P/c1-9-6-18-16(24)20(2)11(9)4-10-7-21(17(25)19-15(10)23)14-5-12(13(8-22)28-14)29-30(3,26)27/h6-7,12-14,22H,4-5,8H2,1-3H3,(H,26,27)(H,19,23,25)/t12-,13+,14+/m0/s1
InChIKey IYGNVVMDQJDAMU-BFHYXJOUSA-N
Literature Reference Author P.CLIVIO,J.L.FOURREY,T.SZABO,J.STAWINSKI
Literature Reference Citation J.ORG.CHEM.,59,7273(1994)
Literature Reference DOI 10.1021/jo00103a018
Solvent D2O
Source File Reference UWCS24101