John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=91j9pI4hQPK SpectraBase Spectrum ID=11Kp01yb36e

(accessed ).
[2-[(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROQUINAZOLIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]-ETHYL]-PHOSPHONIC-ACID
SpectraBase Compound ID 91j9pI4hQPK
InChI InChI=1S/C14H17N2O8P/c17-10-9(5-6-25(21,22)23)24-13(11(10)18)16-8-4-2-1-3-7(8)12(19)15-14(16)20/h1-4,9-11,13,17-18H,5-6H2,(H,15,19,20)(H2,21,22,23)/t9-,10-,11-,13-/m1/s1
InChIKey ZSEJRPUOOBOUQK-PRULPYPASA-N
Mol Weight 372.27 g/mol
Molecular Formula C14H17N2O8P
Exact Mass 372.072254 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11Kp01yb36e
Name [2-[(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROQUINAZOLIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]-ETHYL]-PHOSPHONIC-ACID
Compound Number 3A
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H15N2O8P
InChI InChI=1S/C14H17N2O8P/c17-10-9(5-6-25(21,22)23)24-13(11(10)18)16-8-4-2-1-3-7(8)12(19)15-14(16)20/h1-4,9-11,13,17-18H,5-6H2,(H,15,19,20)(H2,21,22,23)/t9-,10-,11-,13-/m1/s1
InChIKey ZSEJRPUOOBOUQK-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 UWBT14666
SpectraBase Batch ID 3TQ2jNB39cw