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

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[2-[(2R,3S,4R,5R)-3,4-DIHYDROXY-5-(6-METHYL-2,4-DIOXO-3,4-DIHYDROQUINAZOLIN-1(2H)-YL)-TETRAHYDROFURAN-2-YL]-ETHYL]-PHOSPHONIC-ACID
SpectraBase Compound ID 82fOAOUsBJN
InChI InChI=1S/C15H19N2O8P/c1-7-2-3-9-8(6-7)13(20)16-15(21)17(9)14-12(19)11(18)10(25-14)4-5-26(22,23)24/h2-3,6,10-12,14,18-19H,4-5H2,1H3,(H,16,20,21)(H2,22,23,24)/t10-,11-,12-,14-/m1/s1
InChIKey ONXROCDCDPHJNM-HKUMRIAESA-N
Mol Weight 386.3 g/mol
Molecular Formula C15H19N2O8P
Exact Mass 386.087903 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5LKmfG0FDOX
Name [2-[(2R,3S,4R,5R)-3,4-DIHYDROXY-5-(6-METHYL-2,4-DIOXO-3,4-DIHYDROQUINAZOLIN-1(2H)-YL)-TETRAHYDROFURAN-2-YL]-ETHYL]-PHOSPHONIC-ACID
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H17N2O8P
InChI InChI=1S/C15H19N2O8P/c1-7-2-3-9-8(6-7)13(20)16-15(21)17(9)14-12(19)11(18)10(25-14)4-5-26(22,23)24/h2-3,6,10-12,14,18-19H,4-5H2,1H3,(H,16,20,21)(H2,22,23,24)/t10-,11-,12-,14-/m1/s1
InChIKey ONXROCDCDPHJNM-HKUMRIAESA-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 UWBT14669