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acetic acid [(2S,3S,4S,5S)-3,4-diacetoxy-5-(6-keto-1-nitro-purin-9-yl)tetrahydrofuran-2-yl]methyl ester
SpectraBase Compound ID hbciMtkb4M
InChI InChI=1S/C16H17N5O10/c1-7(22)28-4-10-12(29-8(2)23)13(30-9(3)24)16(31-10)19-5-17-11-14(19)18-6-20(15(11)25)21(26)27/h5-6,10,12-13,16H,4H2,1-3H3/t10-,12-,13-,16-/m0/s1
InChIKey WVXZFYSWSIHMLZ-SDPXSBNPSA-N
Mol Weight 439.34 g/mol
Molecular Formula C16H17N5O10
Exact Mass 439.097542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JggNIzDmDWE
Name acetic acid [(2S,3S,4S,5S)-3,4-diacetoxy-5-(6-keto-1-nitro-purin-9-yl)tetrahydrofuran-2-yl]methyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17N5O10
InChI InChI=1S/C16H17N5O10/c1-7(22)28-4-10-12(29-8(2)23)13(30-9(3)24)16(31-10)19-5-17-11-14(19)18-6-20(15(11)25)21(26)27/h5-6,10,12-13,16H,4H2,1-3H3/t10-,12-,13-,16-/m0/s1
InChIKey WVXZFYSWSIHMLZ-SDPXSBNPSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 439.338 g/mol
Source File Reference MHKO16685