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ADENOSINE 5'-(DIHYDROGEN PHOSPHATE), HYDRATE
SpectraBase Compound ID 832Jc1oRjks
InChI InChI=1S/2C10H14N5O7P.2Na.2H2O/c2*11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;;;/h2*2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);;;2*1H2/q;;2*+1;;/p-2/t2*4-,6-,7-,10-;;;;/m11..../s1
InChIKey UXVBLOSLZDARQP-DFFALZMWSA-L
Mol Weight 774.441 g/mol
Molecular Formula C20H30N10Na2O16P2
Exact Mass 774.111187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7eQw2pXHBY
Name ADENOSINE 5'-(DIHYDROGEN PHOSPHATE), HYDRATE
Source of Sample Borups Alle' Apotek, Copenhagen, Denmark
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14N5O7P H2O
InChI InChI=1S/2C10H14N5O7P.2Na.2H2O/c2*11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;;;/h2*2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);;;2*1H2/q;;2*+1;;/p-2/t2*4-,6-,7-,10-;;;;/m11..../s1
InChIKey UXVBLOSLZDARQP-DFFALZMWSA-L
Melting Point 196-200C (dec.)
Molecular Weight 365.24
Solvent Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms ADENOSINE 5'-/DIHYDROGEN PHOSPHATE/, HYDRATE