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[(2S,3R,4S,5S)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
SpectraBase Compound ID FR4N6kNHJGB
InChI InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m0/s1
InChIKey IERHLVCPSMICTF-PSQAKQOGSA-N
Mol Weight 323.2 g/mol
Molecular Formula C9H14N3O8P
Exact Mass 323.051851 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BA23XNFXk49
Name [(2S,3R,4S,5S)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Compound Number 5'-CMP
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N3O8P
InChI InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m0/s1
InChIKey IERHLVCPSMICTF-PSQAKQOGSA-N
Literature Reference Author H.CHEN,J.A.PARKINSON,R.E.MORRIS,P.J.SADLER
Literature Reference Citation J.AM.CHEM.SOC.,125,173(2003)
Literature Reference DOI 10.1021/ja027719m
Solvent D2O:H2O=1:9
Source File Reference UWLU40328