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Hexyl 3-O-acetyl-6-(acetylamino)-4,6-dideoxy-1-thiohexopyranoside
SpectraBase Compound ID 1uURSOxyl0O
InChI InChI=1S/C16H29NO5S/c1-4-5-6-7-8-23-16-15(20)14(21-12(3)19)9-13(22-16)10-17-11(2)18/h13-16,20H,4-10H2,1-3H3,(H,17,18)
InChIKey UCUOYZQVYJISAA-UHFFFAOYSA-N
Mol Weight 347.47 g/mol
Molecular Formula C16H29NO5S
Exact Mass 347.176644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CarQFOezj8h
Name Hexyl 3-O-acetyl-6-(acetylamino)-4,6-dideoxy-1-thiohexopyranoside
CAS Registry Number 70835-89-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H29NO5S
InChI InChI=1S/C16H29NO5S/c1-4-5-6-7-8-23-16-15(20)14(21-12(3)19)9-13(22-16)10-17-11(2)18/h13-16,20H,4-10H2,1-3H3,(H,17,18)
InChIKey UCUOYZQVYJISAA-UHFFFAOYSA-N
Molecular Weight 347.470 g/mol
SMILES OC1C(CC(CNC(C)=O)OC1SCCCCCC)OC(=O)C
SPLASH splash10-06rx-9610000000-396c0bc9a399e70350b4
Source of Spectrum W5-0-0-0
Synonyms .alpha.-DL-Lyxo-hexopyranoside, hexyl 6-(acetylamino)-4,6-dideoxy-1-thio-, 3-acetate Acetic acid [6-(acetamidomethyl)-2-(hexylthio)-3-hydroxy-4-oxanyl] ester [6-(acetamidomethyl)-2-hexylsulfanyl-3-hydroxyoxan-4-yl] acetate [6-(acetamidomethyl)-2-hexylsulfanyl-3-hydroxy-tetrahydropyran-4-yl] acetate [6-(acetamidomethyl)-2-hexylsulfanyl-3-oxidanyl-oxan-4-yl] ethanoate
Wiley ID 1339928