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1-(3,5-DI-O-ACETYL-2-DEOXY-2-(S)-FLUORO-2-[(4-METHOXYPHENYL)-SULFONYL]-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-(1,2,4-TRIAZOL-1-YL)-PYRIMIDINE-2-ONE

View entire compound with spectra: 1 NMR

1-(3,5-DI-O-ACETYL-2-DEOXY-2-(S)-FLUORO-2-[(4-METHOXYPHENYL)-SULFONYL]-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-(1,2,4-TRIAZOL-1-YL)-PYRIMIDINE-2-ONE
SpectraBase Compound ID HNGxDdDf98O
InChI InChI=1S/C22H22FN5O9S/c1-13(29)35-10-17-19(36-14(2)30)22(23,38(32,33)16-6-4-15(34-3)5-7-16)20(37-17)27-9-8-18(26-21(27)31)28-12-24-11-25-28/h4-9,11-12,17,19-20H,10H2,1-3H3/t17-,19-,20-,22+/m0/s1
InChIKey IVWFUARYPLIYBM-WCCBULMPSA-N
Mol Weight 551.5 g/mol
Molecular Formula C22H22FN5O9S
Exact Mass 551.112227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7cS61hZuKSo
Name 1-(3,5-DI-O-ACETYL-2-DEOXY-2-(S)-FLUORO-2-[(4-METHOXYPHENYL)-SULFONYL]-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-(1,2,4-TRIAZOL-1-YL)-PYRIMIDINE-2-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22FN5O9S
InChI InChI=1S/C22H22FN5O9S/c1-13(29)35-10-17-19(36-14(2)30)22(23,38(32,33)16-6-4-15(34-3)5-7-16)20(37-17)27-9-8-18(26-21(27)31)28-12-24-11-25-28/h4-9,11-12,17,19-20H,10H2,1-3H3/t17-,19-,20-,22+/m0/s1
InChIKey IVWFUARYPLIYBM-WCCBULMPSA-N
Literature Reference Author M.J.ROBINS,K.B.MULLAH,S.F.WNUK,N.K.DALLEY
Literature Reference Citation J.ORG.CHEM.,57,2357(1992)
Literature Reference DOI 10.1021/jo00034a031
Molecular Weight 551.503 g/mol
Solvent DMSO-D6
Source File Reference UWCS1453