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[2-[(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROTHIENO-[3,2-D]-PYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]-ETHYL]-PHOSPHONIC-ACID

View entire compound with spectra: 2 NMR

[2-[(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROTHIENO-[3,2-D]-PYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]-ETHYL]-PHOSPHONIC-ACID
SpectraBase Compound ID 8bNd6dZGhRy
InChI InChI=1S/C12H15N2O8PS/c15-7-6(1-3-23(19,20)21)22-11(8(7)16)14-5-2-4-24-9(5)10(17)13-12(14)18/h2,4,6-8,11,15-16H,1,3H2,(H,13,17,18)(H2,19,20,21)/t6-,7-,8-,11-/m1/s1
InChIKey QANVPIHZSZVCPJ-KCGFPETGSA-N
Mol Weight 378.29 g/mol
Molecular Formula C12H15N2O8PS
Exact Mass 378.028674 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KwVysUSMUkn
Name [2-[(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROTHIENO-[3,2-D]-PYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]-ETHYL]-PHOSPHONIC-ACID
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N2O8PS
InChI InChI=1S/C12H15N2O8PS/c15-7-6(1-3-23(19,20)21)22-11(8(7)16)14-5-2-4-24-9(5)10(17)13-12(14)18/h2,4,6-8,11,15-16H,1,3H2,(H,13,17,18)(H2,19,20,21)/t6-,7-,8-,11-/m1/s1
InChIKey QANVPIHZSZVCPJ-KCGFPETGSA-N
Literature Reference Author L.SONG,M.D.P.RISSEEUW,I.KARALIC,M.O.BARRETT,K.A.BROWN,T.K.HA RDEN,S.V.CALENBERGH
Literature Reference Citation MOLECULES,19,4313(2014)
Literature Reference DOI 10.3390/molecules19044313
Solvent DMSO-D6
Source File Reference UWBT14671