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(2R,3R,4S,5R)-2-[6-(3-methylbut-2-enylamino)-2-(methylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
SpectraBase Compound ID KJZ5vPLcD62
InChI InChI=1S/C16H23N5O4S/c1-8(2)4-5-17-13-10-14(20-16(19-13)26-3)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h4,7,9,11-12,15,22-24H,5-6H2,1-3H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1
InChIKey VZQXUWKZDSEQRR-SDBHATRESA-N
Mol Weight 381.45 g/mol
Molecular Formula C16H23N5O4S
Exact Mass 381.147075 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDx77WaGgkx
Name (2R,3R,4S,5R)-2-[6-(3-methylbut-2-enylamino)-2-(methylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H23N5O4S
InChI InChI=1S/C16H23N5O4S/c1-8(2)4-5-17-13-10-14(20-16(19-13)26-3)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h4,7,9,11-12,15,22-24H,5-6H2,1-3H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1
InChIKey VZQXUWKZDSEQRR-SDBHATRESA-N
Literature Reference Author J.VICHA,M.MALON,P.VESELA,O.HUMPA,M.STRNAD,R.MAREK
Literature Reference Citation MAGN.RES.CHEM.,48,318(2010)
Literature Reference DOI 10.1002/mrc.2575
Solvent DMSO-D6
Source File Reference UWIR16257