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3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-5-(methylthio)-4H-isothiazolo[5,4-e]pyrimidin-7-one

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3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-5-(methylthio)-4H-isothiazolo[5,4-e]pyrimidin-7-one
SpectraBase Compound ID LbSFxtkKRpn
InChI InChI=1S/C11H13N3O5S2/c1-20-11-12-5-4(14-21-9(5)10(18)13-11)8-7(17)6(16)3(2-15)19-8/h3,6-8,15-17H,2H2,1H3,(H,12,13,18)/t3-,6-,7-,8+/m1/s1
InChIKey UTNYWURJBUIAQR-DTKRFWQTSA-N
Mol Weight 331.36 g/mol
Molecular Formula C11H13N3O5S2
Exact Mass 331.029663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6o4qbAIiWu4
Name 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-5-(methylthio)-4H-isothiazolo[5,4-e]pyrimidin-7-one
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H13N3O5S2
InChI InChI=1S/C11H13N3O5S2/c1-20-11-12-5-4(14-21-9(5)10(18)13-11)8-7(17)6(16)3(2-15)19-8/h3,6-8,15-17H,2H2,1H3,(H,12,13,18)/t3-,6-,7-,8+/m1/s1
InChIKey UTNYWURJBUIAQR-DTKRFWQTSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 331.361 g/mol
Source File Reference MHKO5068