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2-AMINO-3-METHYL-5-NITROSO-6-[(TRI-O-ACETYL)-BETA-D-XYLOPYRANOSYL]-AMINOPYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID 7qP2ylquskn
InChI InChI=1S/C16H21N5O9/c1-6(22)28-9-5-27-14(12(30-8(3)24)11(9)29-7(2)23)18-13-10(20-26)15(25)21(4)16(17)19-13/h9,11-12,14,18H,5H2,1-4H3,(H2,17,19)/t9-,11+,12-,14-/m0/s1
InChIKey ZNAJKVUCFKJSMJ-TWJQMWNJSA-N
Mol Weight 427.37 g/mol
Molecular Formula C16H21N5O9
Exact Mass 427.133927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6ZjHBrqu2L
Name 2-AMINO-3-METHYL-5-NITROSO-6-[(TRI-O-ACETYL)-BETA-D-XYLOPYRANOSYL]-AMINOPYRIMIDIN-4(3H)-ONE
Compound Number 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21N5O9
InChI InChI=1S/C16H21N5O9/c1-6(22)28-9-5-27-14(12(30-8(3)24)11(9)29-7(2)23)18-13-10(20-26)15(25)21(4)16(17)19-13/h9,11-12,14,18H,5H2,1-4H3,(H2,17,19)/t9-,11+,12-,14-/m0/s1
InChIKey ZNAJKVUCFKJSMJ-TWJQMWNJSA-N
Literature Reference Author M.MELGUIZO,A.MARCHAL,M.NOGUERAS,A.SANCHEZ,J.N.LOW
Literature Reference Citation J.HETCYCL.CHEM.,39,97(2002)
Literature Reference DOI 10.1002/jhet.5570390114
Molecular Weight 427.371 g/mol
Solvent DMSO-D6
Source File Reference UWSI8515