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1-[5-Amino-5,6-Dideoxy-2,3-O-isopropylidene-6-(p-toluenesulfonyl)-.alpha.-D-talofuranosyl]uracil
SpectraBase Compound ID B7FQYycjWE1
InChI InChI=1S/C20H25N3O7S/c1-11-4-6-12(7-5-11)31(26,27)10-13(21)15-16-17(30-20(2,3)29-16)18(28-15)23-9-8-14(24)22-19(23)25/h4-9,13,15-18H,10,21H2,1-3H3,(H,22,24,25)/t13-,15+,16+,17+,18+/m1/s1
InChIKey NIPDEEBTWAVIQU-QSGXVVIFSA-N
Mol Weight 451.49 g/mol
Molecular Formula C20H25N3O7S
Exact Mass 451.141321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3KUoAOZCs2
Name 1-[5-Amino-5,6-Dideoxy-2,3-O-isopropylidene-6-(p-toluenesulfonyl)-.alpha.-D-talofuranosyl]uracil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25N3O7S
InChI InChI=1S/C20H25N3O7S/c1-11-4-6-12(7-5-11)31(26,27)10-13(21)15-16-17(30-20(2,3)29-16)18(28-15)23-9-8-14(24)22-19(23)25/h4-9,13,15-18H,10,21H2,1-3H3,(H,22,24,25)/t13-,15+,16+,17+,18+/m1/s1
InChIKey NIPDEEBTWAVIQU-QSGXVVIFSA-N
Molecular Weight 451.494 g/mol
SMILES N[C@@]([C@]1([C@]2([C@@]([C@@](N3C(NC(C=C3)=O)=O)(O1)[H])(OC(O2)(C)C)[H])[H])[H])(CS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-0002-0910000000-3e80131d8e587d3be1a6
Source of Spectrum I-69-2110-10
Synonyms 1-[(3aS,4S,6S,6aS)-6-[(1S)-1-amino-2-[(4-methylbenzene)sulfonyl]ethyl]-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Wiley ID 1387925