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1-[5-N-Acetyl-5-Amino-5,6-dideoxy-6-(p-toluenesulfonyl)-.beta.-D-allofuranosyl]uracil
SpectraBase Compound ID KHRk3QpQqhP
InChI InChI=1S/C19H23N3O8S/c1-10-3-5-12(6-4-10)31(28,29)9-13(20-11(2)23)17-15(25)16(26)18(30-17)22-8-7-14(24)21-19(22)27/h3-8,13,15-18,25-26H,9H2,1-2H3,(H,20,23)(H,21,24,27)/t13-,15+,16-,17-,18-/m1/s1
InChIKey NQCUJUSAFUWYON-REEYDVFISA-N
Mol Weight 453.47 g/mol
Molecular Formula C19H23N3O8S
Exact Mass 453.120586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5B5zToI0RE9
Name 1-[5-N-Acetyl-5-Amino-5,6-dideoxy-6-(p-toluenesulfonyl)-.beta.-D-allofuranosyl]uracil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23N3O8S
InChI InChI=1S/C19H23N3O8S/c1-10-3-5-12(6-4-10)31(28,29)9-13(20-11(2)23)17-15(25)16(26)18(30-17)22-8-7-14(24)21-19(22)27/h3-8,13,15-18,25-26H,9H2,1-2H3,(H,20,23)(H,21,24,27)/t13-,15+,16-,17-,18-/m1/s1
InChIKey NQCUJUSAFUWYON-REEYDVFISA-N
Molecular Weight 453.466 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]1(O)[H])(N1C(NC(C=C1)=O)=O)[H])([C@@](CS(c1ccc(cc1)C)(=O)=O)(NC(=O)C)[H])[H])[H]
SPLASH splash10-01ox-4910000000-6e2cdec29d1098a04b0b
Source of Spectrum I-69-2110-13
Synonyms N-[(1S)-1-[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-[(4-methylbenzene)sulfonyl]ethyl]acetamide
Wiley ID 1388459