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(3-S)-4-[((3-AMINO-3-CARBOXY)-PROPYL)-(HYDROXY)-PHOSPHINYL]-4-HYDROXY-3-METHYL-2-BUTENOIC_ACID;LSP1-1171
SpectraBase Compound ID 21oeIMkPbL8
InChI InChI=1S/C9H16NO7P/c1-5(4-7(11)12)9(15)18(16,17)3-2-6(10)8(13)14/h4,6,9,15H,2-3,10H2,1H3,(H,11,12)(H,13,14)(H,16,17)/b5-4+/t6-,9?/m0/s1
InChIKey GRQUVPKMXUGCRO-NVKMXGOXSA-N
Mol Weight 281.2 g/mol
Molecular Formula C9H16NO7P
Exact Mass 281.066439 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ibsYz6dCyK
Name (3-S)-4-[((3-AMINO-3-CARBOXY)-PROPYL)-(HYDROXY)-PHOSPHINYL]-4-HYDROXY-3-METHYL-2-BUTENOIC_ACID;LSP1-1171
Compound Number 2 0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H15NO7P
InChI InChI=1S/C9H16NO7P/c1-5(4-7(11)12)9(15)18(16,17)3-2-6(10)8(13)14/h4,6,9,15H,2-3,10H2,1H3,(H,11,12)(H,13,14)(H,16,17)/b5-4+/t6-,9?/m0/s1
InChIKey GRQUVPKMXUGCRO-NVKMXGOXSA-N
Literature Reference Author C.SELVAM,N.OUESLATI,I.A.LEMASSON,I.BRABER,D.RIGAULT,T.COURTI OL,S.CESARINI,N.TRIB
Literature Reference Citation J.MED.CHEM.,53,2797(2010)
Literature Reference DOI 10.1021/jm901523t
Solvent D2O
Source File Reference UWMZ46476