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1-S-[(1E)-N-Hydroxy-5-(methylsulfanyl)pentanimidoyl]-1-thiohexopyranose
SpectraBase Compound ID 9M4yODVJoxC
InChI InChI=1S/C12H23NO6S2/c1-20-5-3-2-4-8(13-18)21-12-11(17)10(16)9(15)7(6-14)19-12/h7,9-12,14-18H,2-6H2,1H3/b13-8+
InChIKey WILLOUKDISBKTQ-MDWZMJQESA-N
Mol Weight 341.44 g/mol
Molecular Formula C12H23NO6S2
Exact Mass 341.09668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfGQt8dh1JP
Name 1-S-[(1E)-N-Hydroxy-5-(methylsulfanyl)pentanimidoyl]-1-thiohexopyranose
CAS Registry Number 77171-29-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H23NO6S2
InChI InChI=1S/C12H23NO6S2/c1-20-5-3-2-4-8(13-18)21-12-11(17)10(16)9(15)7(6-14)19-12/h7,9-12,14-18H,2-6H2,1H3/b13-8+
InChIKey WILLOUKDISBKTQ-MDWZMJQESA-N
Molecular Weight 341.437 g/mol
SMILES OCC1C(C(C(C(O1)S\C(CCCCSC)=N/O)O)O)O
SPLASH splash10-08fr-9200000000-fd00416f4ac1d7de304b
Source of Spectrum W5-1989-8652-1
Synonyms (1E)-N-hydroxy-5-(methylthio)thiovalerimidic acid (3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl) ester .beta.-D-Glucopyranose, 1-thio-,1-[N-hydroxy-5-(methylthio)pentanimidate] (1E)-N-hydroxy-5-(methylthio)pentanimidothioic acid [3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-hydroxy-5-methylsulfanylpentanimidothioate [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-N-hydroxy-5-methylsulfanyl-pentanimidothioate
Wiley ID 1335725