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MYO-INOSITOL-1,4,5-TRIPHOSPHATE-SODIUM-SALT

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MYO-INOSITOL-1,4,5-TRIPHOSPHATE-SODIUM-SALT
SpectraBase Compound ID 1DKkXF2fv6y
InChI InChI=1S/C6H15O15P3.6Na/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12;;;;;;/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18);;;;;;/q;6*+1/p-6/t1-,2+,3+,4-,5-,6-;;;;;;/m0....../s1
InChIKey MLMBGBMAFNSCOW-PYBCBHMXSA-H
Mol Weight 551.98290169 g/mol
Molecular Formula C6H9Na6O15P3
Exact Mass 551.854046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AFapO1NSUA0
Name MYO-INOSITOL-1,4,5-TRIPHOSPHATE-SODIUM-SALT
Compound Number 10H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H9Na6O15P3
InChI InChI=1S/C6H15O15P3.6Na/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12;;;;;;/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18);;;;;;/q;6*+1/p-6/t1-,2+,3+,4-,5-,6-;;;;;;/m0....../s1
InChIKey MLMBGBMAFNSCOW-PYBCBHMXSA-H
Literature Reference Author S.K.CHUNG,Y.U.KWON,J.H.SHIN,Y.T.CHANG,C.LEE,B.G.SHIN,K.C.KIM ,M.J.KIM
Literature Reference Citation J.ORG.CHEM.,67,5626(2002)
Literature Reference DOI 10.1021/jo0257694
Molecular Weight 551.988 g/mol
Solvent D2O;PH=10
Source File Reference UWVN23502