For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2',3'-di-o-Acetyl-5'-deoxy-5'-S-fluoro-5'-[(4-methoxyphenyl)-sulfonyl]-ADENOSINE_1-N-oxide

View entire compound with spectra: 2 NMR

2',3'-di-o-Acetyl-5'-deoxy-5'-S-fluoro-5'-[(4-methoxyphenyl)-sulfonyl]-ADENOSINE_1-N-oxide
SpectraBase Compound ID K9DA8P70IU9
InChI InChI=1S/C21H22FN5O9S/c1-10(28)34-15-16(18(22)37(31,32)13-6-4-12(33-3)5-7-13)36-21(17(15)35-11(2)29)26-8-24-14-19(23)27(30)9-25-20(14)26/h4-9,15-18,21H,23H2,1-3H3/t15-,16+,17-,18-,21-/m0/s1
InChIKey IIDFFBIKRMOTRP-UONLAYADSA-N
Mol Weight 539.49 g/mol
Molecular Formula C21H22FN5O9S
Exact Mass 539.112227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LLOAD5fTEC8
Name 2',3'-di-o-Acetyl-5'-deoxy-5'-S-fluoro-5'-[(4-methoxyphenyl)-sulfonyl]-ADENOSINE_1-N-oxide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.112226636 u
Formula C21H22FN5O9S
InChI InChI=1S/C21H22FN5O9S/c1-10(28)34-15-16(18(22)37(31,32)13-6-4-12(33-3)5-7-13)36-21(17(15)35-11(2)29)26-8-24-14-19(23)27(30)9-25-20(14)26/h4-9,15-18,21H,23H2,1-3H3/t15-,16+,17-,18-,21-/m0/s1
InChIKey IIDFFBIKRMOTRP-UONLAYADSA-N
Molecular Weight 539.491 g/mol
SMILES C=1N(=O)=C(C2=C(N1)N(C=N2)[C@@]1([C@@](OC(=O)C)([C@@](OC(=O)C)([C@@](O1)([C@@](F)(S(=O)(=O)C1=CC=C(OC)C=C1)[H])[H])[H])[H])[H])N