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9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]xanthine
SpectraBase Compound ID KRIWmmK6bPK
InChI InChI=1S/C10H12N4O5/c15-2-5-4(16)1-6(19-5)14-3-11-7-8(14)12-10(18)13-9(7)17/h3-6,15-16H,1-2H2,(H2,12,13,17,18)/t4-,5+,6+/m0/s1
InChIKey NQAZHXBSLFDVKM-KVQBGUIXSA-N
Mol Weight 268.23 g/mol
Molecular Formula C10H12N4O5
Exact Mass 268.080769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Co8eNzkRsrH
Name 9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]xanthine
Compound Number DXAO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12N4O5
InChI InChI=1S/C10H12N4O5/c15-2-5-4(16)1-6(19-5)14-3-11-7-8(14)12-10(18)13-9(7)17/h3-6,15-16H,1-2H2,(H2,12,13,17,18)/t4-,5+,6+/m0/s1
InChIKey NQAZHXBSLFDVKM-KVQBGUIXSA-N
Literature Reference Author T.SUZUKI,R.YAMAOKA,M.NISHI,H.IDE,K.MAKINO
Literature Reference Citation J.AM.CHEM.SOC.,118,2515(1996)
Literature Reference DOI 10.1021/ja952550g
Molecular Weight 268.229 g/mol
Sample ID 56505
Solvent DMSO-D6