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[2-[(2R,3S,4R,5R)-5-(6-CHLORO-2,4-DIOXO-3,4-DIHYDROQUINAZOLIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]-ETHYL]-PHOSPHONIC-ACID

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[2-[(2R,3S,4R,5R)-5-(6-CHLORO-2,4-DIOXO-3,4-DIHYDROQUINAZOLIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]-ETHYL]-PHOSPHONIC-ACID
SpectraBase Compound ID eWn9nHIcuw
InChI InChI=1S/C14H16ClN2O8P/c15-6-1-2-8-7(5-6)12(20)16-14(21)17(8)13-11(19)10(18)9(25-13)3-4-26(22,23)24/h1-2,5,9-11,13,18-19H,3-4H2,(H,16,20,21)(H2,22,23,24)/t9-,10-,11-,13-/m1/s1
InChIKey WIGGOOKCCBKCMC-PRULPYPASA-N
Mol Weight 406.71 g/mol
Molecular Formula C14H16ClN2O8P
Exact Mass 406.03328 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gPSGpEaxGy
Name [2-[(2R,3S,4R,5R)-5-(6-CHLORO-2,4-DIOXO-3,4-DIHYDROQUINAZOLIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]-ETHYL]-PHOSPHONIC-ACID
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14ClN2O8P
InChI InChI=1S/C14H16ClN2O8P/c15-6-1-2-8-7(5-6)12(20)16-14(21)17(8)13-11(19)10(18)9(25-13)3-4-26(22,23)24/h1-2,5,9-11,13,18-19H,3-4H2,(H,16,20,21)(H2,22,23,24)/t9-,10-,11-,13-/m1/s1
InChIKey WIGGOOKCCBKCMC-PRULPYPASA-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 D2O
Source File Reference UWBT14668