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1-[6'-DEOXY-6'-ETHYLPHOSPHONO-BETA-D-RIBO-(5'R)-HEXAFURANOSYL]-CYTOSINE-SODIUM-SALT
SpectraBase Compound ID 39Jle544BYb
InChI InChI=1S/C12H20N3O8P.Na/c1-2-22-24(20,21)5-6(16)10-8(17)9(18)11(23-10)15-4-3-7(13)14-12(15)19;/h3-4,6,8-11,16-18H,2,5H2,1H3,(H,20,21)(H2,13,14,19);/q;+1/p-1/t6-,8+,9-,10-,11-;/m1./s1
InChIKey DYABCEFJDGKXLK-RAFXQINBSA-M
Mol Weight 387.26 g/mol
Molecular Formula C12H19N3NaO8P
Exact Mass 387.080746 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RntEwHUstX
Name 1-[6'-DEOXY-6'-ETHYLPHOSPHONO-BETA-D-RIBO-(5'R)-HEXAFURANOSYL]-CYTOSINE-SODIUM-SALT
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H19N3NaO8P
InChI InChI=1S/C12H20N3O8P.Na/c1-2-22-24(20,21)5-6(16)10-8(17)9(18)11(23-10)15-4-3-7(13)14-12(15)19;/h3-4,6,8-11,16-18H,2,5H2,1H3,(H,20,21)(H2,13,14,19);/q;+1/p-1/t6-,8+,9-,10-,11-;/m1./s1
InChIKey DYABCEFJDGKXLK-RAFXQINBSA-M
Literature Reference Author M.MEURILLON,L.CHALOIN,C.PERIGAUD,S.PEYROTTES
Literature Reference Citation EUR.J.ORG.CHEM.,2011,3794(2011)
Literature Reference DOI 10.1002/ejoc.201100219
Solvent D2O
Source File Reference UWBT21170