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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLlBKGppjx2
Name [(S)-[(2S,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-hydroxy-methyl]phosphonic acid
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N3O8P
InChI InChI=1S/C9H14N3O8P/c10-3-1-2-12(9(16)11-3)7-5(14)4(13)6(20-7)8(15)21(17,18)19/h1-2,4-8,13-15H,(H2,10,11,16)(H2,17,18,19)/t4-,5+,6-,7+,8-/m0/s1
InChIKey AHAYATQREILOLI-YMVPXFTJSA-N
Literature Reference Author X.CHEN,A.J.WIEMER,R.J.HOHL,D.F.WIEMER
Literature Reference Citation J.ORG.CHEM.,67,9331(2002)
Literature Reference DOI 10.1021/jo020483k
Molecular Weight 321.183 g/mol
Solvent D2O
Source File Reference UWMS25326