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9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]xanthine
SpectraBase Compound ID IoKeFYIe9LM
InChI InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m0/s1
InChIKey UBORTCNDUKBEOP-GIMIYPNGSA-N
Mol Weight 284.23 g/mol
Molecular Formula C10H12N4O6
Exact Mass 284.075684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GCgans5L2xT
Name 9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]xanthine
Compound Number 3R
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Formula C10H12N4O6
InChI InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m0/s1
InChIKey UBORTCNDUKBEOP-GIMIYPNGSA-N
Literature Reference Author S.RAYAT,P.MAJUMDAR,P.TIPTON,R.GLASER
Literature Reference Citation J.AM.CHEM.SOC.,126,9960(2004)
Literature Reference DOI 10.1021/ja049835q
Molecular Weight 284.228 g/mol
Sample ID 27873
Solvent CD3OD