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Methyl 2-(acetylamino)-3-[(2,3,4-tri-O-acetyl-6-deoxy-6-iodohexopyranosyl)thio]propanoate
SpectraBase Compound ID 9NzFiWUuexV
InChI InChI=1S/C18H26INO10S/c1-8(21)20-12(17(25)26-5)7-31-18-16(29-11(4)24)15(28-10(3)23)14(27-9(2)22)13(6-19)30-18/h12-16,18H,6-7H2,1-5H3,(H,20,21)/t12?,13-,14-,15+,16-,18+/m1/s1
InChIKey VMEXIUWZECXHDK-SVYMGOSOSA-N
Mol Weight 575.37 g/mol
Molecular Formula C18H26INO10S
Exact Mass 575.032212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cySjMa8Ll9
Name Methyl 2-(acetylamino)-3-[(2,3,4-tri-O-acetyl-6-deoxy-6-iodohexopyranosyl)thio]propanoate
Alternate Name(s) 2-Acetamido-3-[[3,4,5-triacetoxy-6-(iodomethyl)tetrahydropyran-2-yl]thio]propionic acid methyl ester 2-Acetamido-3-[[3,4,5-triacetyloxy-6-(iodomethyl)-2-oxanyl]thio]propanoic acid methyl ester 2-Acetylamino-3-(3,4,5-triacetoxy-6-iodomethyltetrahydropyran-2-ylsulfanyl)propionic acid, methyl ester Methyl 2-acetamido-3-[3,4,5-triacetoxy-6-(iodomethyl)tetrahydropyran-2-yl]sulfanyl-propanoate Methyl 2-acetamido-3-[3,4,5-triacetyloxy-6-(iodanylmethyl)oxan-2-yl]sulfanyl-propanoate Methyl 2-acetamido-3-[3,4,5-triacetyloxy-6-(iodomethyl)oxan-2-yl]sulfanylpropanoate
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Formula C18H26INO10S
InChI InChI=1S/C18H26INO10S/c1-8(21)20-12(17(25)26-5)7-31-18-16(29-11(4)24)15(28-10(3)23)14(27-9(2)22)13(6-19)30-18/h12-16,18H,6-7H2,1-5H3,(H,20,21)/t12?,13-,14-,15+,16-,18+/m1/s1
InChIKey VMEXIUWZECXHDK-SVYMGOSOSA-N
Molecular Weight 575.367 g/mol
SMILES N(C(CS[C@@]1(O[C@@]([C@]([C@@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(CI)[H])[H])C(=O)OC)C(=O)C
SPLASH splash10-0006-9720000000-eb98558e04df4a4f227f
Wiley ID 1480114