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8-Amino-9-.beta.-D-glucopyranosyl-1-methyl-2-(methylthio)purin-6(1H)-one
SpectraBase Compound ID 4tMICQthd4J
InChI InChI=1S/C13H19N5O6S/c1-17-10(23)5-9(16-13(17)25-2)18(12(14)15-5)11-8(22)7(21)6(20)4(3-19)24-11/h4,6-8,11,19-22H,3H2,1-2H3,(H2,14,15)/t4-,6-,7+,8-,11-/m0/s1
InChIKey HEHVKLAYARFKRH-UBJKSCQCSA-N
Mol Weight 373.38 g/mol
Molecular Formula C13H19N5O6S
Exact Mass 373.105605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7kQ74V0oiM
Name 8-AMINO-9-BETA-D-GLUCOPYRANOSYL-1-METHYL-2-(METHYLTHIO)-PURIN-6(1H)-ONE
CAS Registry Number 137393-26-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H19N5O6S
InChI InChI=1S/C13H19N5O6S/c1-17-10(23)5-9(16-13(17)25-2)18(12(14)15-5)11-8(22)7(21)6(20)4(3-19)24-11/h4,6-8,11,19-22H,3H2,1-2H3,(H2,14,15)/t4-,6-,7+,8-,11-/m0/s1
InChIKey HEHVKLAYARFKRH-UBJKSCQCSA-N
Literature Reference Author M.MELGUIZO,M.NOGUERAS,A.SANCHEZ
Literature Reference Citation J.ORG.CHEM.,57,559(1992)
Literature Reference DOI 10.1021/jo00028a031
Molecular Weight 373.384 g/mol
Solvent DMSO-D6
Source File Reference UWCS2154