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1-[5(S)-Amino-5,6-dideoxy-6-(p-toluenesulfonyl)-.beta.-D-allofuranosyl]uracil
SpectraBase Compound ID IgLJDAs0VnN
InChI InChI=1S/C17H21N3O7S/c1-9-2-4-10(5-3-9)28(25,26)8-11(18)15-13(22)14(23)16(27-15)20-7-6-12(21)19-17(20)24/h2-7,11,13-16,22-23H,8,18H2,1H3,(H,19,21,24)/t11-,13+,14-,15-,16-/m1/s1
InChIKey UMUPZKBTOAPFCC-DPZJBDQQSA-N
Mol Weight 411.43 g/mol
Molecular Formula C17H21N3O7S
Exact Mass 411.110021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GA9nd55VWNJ
Name 1-[5(S)-Amino-5,6-dideoxy-6-(p-toluenesulfonyl)-.beta.-D-allofuranosyl]uracil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N3O7S
InChI InChI=1S/C17H21N3O7S/c1-9-2-4-10(5-3-9)28(25,26)8-11(18)15-13(22)14(23)16(27-15)20-7-6-12(21)19-17(20)24/h2-7,11,13-16,22-23H,8,18H2,1H3,(H,19,21,24)/t11-,13+,14-,15-,16-/m1/s1
InChIKey UMUPZKBTOAPFCC-DPZJBDQQSA-N
Molecular Weight 411.429 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)(N)[H])[H])[H]
SPLASH splash10-06r7-4900000000-119eee4b1b23d69375fe
Source of Spectrum I-69-2110-11
Synonyms 1-[(2R,3R,4S,5R)-5-[(1S)-1-amino-2-[(4-methylbenzene)sulfonyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Wiley ID 1374009