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[2-[(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROBENZO-[G]-QUINAZOLIN-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-DIHYDROBENZO-[G]-QUINAZOLIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]-ETHYL]-PHOSPHONIC-ACID
SpectraBase Compound ID DcSaw2Te2fg
InChI InChI=1S/C18H19N2O8P/c21-14-13(5-6-29(25,26)27)28-17(15(14)22)20-12-8-10-4-2-1-3-9(10)7-11(12)16(23)19-18(20)24/h1-4,7-8,13-15,17,21-22H,5-6H2,(H,19,23,24)(H2,25,26,27)/t13-,14-,15-,17-/m0/s1
InChIKey HXCMZJXOKSGHCQ-JKQORVJESA-N
Mol Weight 422.33 g/mol
Molecular Formula C18H19N2O8P
Exact Mass 422.087903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5pSr4YugNYf
Name [2-[(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROBENZO-[G]-QUINAZOLIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]-ETHYL]-PHOSPHONIC-ACID
Compound Number 3G
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17N2O8P
InChI InChI=1S/C18H19N2O8P/c21-14-13(5-6-29(25,26)27)28-17(15(14)22)20-12-8-10-4-2-1-3-9(10)7-11(12)16(23)19-18(20)24/h1-4,7-8,13-15,17,21-22H,5-6H2,(H,19,23,24)(H2,25,26,27)/t13-,14-,15-,17-/m0/s1
InChIKey HXCMZJXOKSGHCQ-JKQORVJESA-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
Molecular Weight 420.315 g/mol
Solvent DMSO-D6
Source File Reference UWBT14672