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.alpha.-D-xylo-Hexopyranose, 2,3,6-trideoxy-3-[[(4-methylphenyl)sulfonyl]amino]-
SpectraBase Compound ID 7D024SmmNNN
InChI InChI=1S/C13H19NO5S/c1-8-3-5-10(6-4-8)20(17,18)14-11-7-12(15)19-9(2)13(11)16/h3-6,9,11-16H,7H2,1-2H3/t9?,11-,12+,13-/m1/s1
InChIKey ZNUPDEPVURRBBQ-PLKNYFGKSA-N
Mol Weight 301.36 g/mol
Molecular Formula C13H19NO5S
Exact Mass 301.098394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwXguUcRCe8
Name .alpha.-D-xylo-Hexopyranose, 2,3,6-trideoxy-3-[[(4-methylphenyl)sulfonyl]amino]-
Alternate Name(s) 2,3,6-trideoxy-3-{[(4-methylphenyl)sulfonyl]amino}-.alpha.-D-threo-hexopyranose 2,3,6-Tridesoxy-3-(p-tolylsulfonylamino)-.alpha.-L-lyxo-hexopyranose N-(p-tolylsulfonyl)daunosamine
CAS Registry Number 81005-51-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO5S
InChI InChI=1S/C13H19NO5S/c1-8-3-5-10(6-4-8)20(17,18)14-11-7-12(15)19-9(2)13(11)16/h3-6,9,11-16H,7H2,1-2H3/t9?,11-,12+,13-/m1/s1
InChIKey ZNUPDEPVURRBBQ-PLKNYFGKSA-N
Molecular Weight 301.357 g/mol
SMILES N([C@]1([C@@](C(O[C@@](C1)(O)[H])C)(O)[H])[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-052g-0290000000-35349c1ae2f0b9dff7a9
Source of Spectrum K-115-259-0
Wiley ID 1303638