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2',3'-DI-O-ACETYL-5'-R-FLUORO-5'-[(4-METHOXYPHENYL)-SULFINYL-(R/S)S]-ADENOSINE
SpectraBase Compound ID 7A88Q5fNukH
InChI InChI=1S/2C21H22FN5O7S/c2*1-10(28)32-15-16(18(22)35(30)13-6-4-12(31-3)5-7-13)34-21(17(15)33-11(2)29)27-9-26-14-19(23)24-8-25-20(14)27/h2*4-9,15-18,21H,1-3H3,(H2,23,24,25)/t15-,16+,17-,18+,21-,35?;15-,16+,17-,18-,21-,35?/m00/s1
InChIKey BMQXMODIETXHEW-WTIZQBPRSA-N
Mol Weight 1014.99 g/mol
Molecular Formula C42H44F2N10O14S2
Exact Mass 1014.244795 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ojXFxNK732
Name 2',3'-DI-O-ACETYL-5'-S-FLUORO-5'-[(4-METHOXYPHENYL)-SULFINYL-(R/S)S]-ADENOSINE
Compound Number 7E-(5'-S,(R/S)S)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H44F2N10O14S2
InChI InChI=1S/2C21H22FN5O7S/c2*1-10(28)32-15-16(18(22)35(30)13-6-4-12(31-3)5-7-13)34-21(17(15)33-11(2)29)27-9-26-14-19(23)24-8-25-20(14)27/h2*4-9,15-18,21H,1-3H3,(H2,23,24,25)/t15-,16+,17-,18+,21-,35?;15-,16+,17-,18-,21-,35?/m00/s1
InChIKey BMQXMODIETXHEW-WTIZQBPRSA-N
Literature Reference Author M.J.ROBINS,S.F.WNUK,K.B.MULLAH,N.K.DALLEY,C.S.YUAN,Y.LEE,R.T .BORCHARDT
Literature Reference Citation J.ORG.CHEM.,59,544(1994)
Literature Reference DOI 10.1021/jo00082a010
Solvent DMSO-D6
Source File Reference UWMZ2449