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3-Chloro-2-hydroxypropyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thiohexopyranoside
SpectraBase Compound ID E39jeGELQHf
InChI InChI=1S/C17H26ClNO9S/c1-8(20)19-14-16(27-11(4)23)15(26-10(3)22)13(6-25-9(2)21)28-17(14)29-7-12(24)5-18/h12-17,24H,5-7H2,1-4H3,(H,19,20)/t12?,13-,14-,15-,16-,17+/m1/s1
InChIKey PEYNXWFIAHBILA-NOVYPJJOSA-N
Mol Weight 455.91 g/mol
Molecular Formula C17H26ClNO9S
Exact Mass 455.10168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69EGHbeVKJq
Name 3-Chloro-2-hydroxypropyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thiohexopyranoside
Alternate Name(s) Acetic acid 3-acetoxy-2-acetoxymethyl-5-acetylamino-6-(3-chloro-2-hydroxy-propylsulfanyl)-tetrahydro-pyran-4-yl ester [5-acetamido-3,4-diacetoxy-6-(3-chloro-2-hydroxy-propyl)sulfanyl-tetrahydropyran-2-yl]methyl acetate [5-acetamido-3,4-diacetyloxy-6-(3-chloranyl-2-oxidanyl-propyl)sulfanyl-oxan-2-yl]methyl ethanoate [5-acetamido-3,4-diacetyloxy-6-(3-chloro-2-hydroxypropyl)sulfanyloxan-2-yl]methyl acetate Acetic acid [5-acetamido-3,4-diacetyloxy-6-[(3-chloro-2-hydroxypropyl)thio]-2-oxanyl]methyl ester
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Formula C17H26ClNO9S
InChI InChI=1S/C17H26ClNO9S/c1-8(20)19-14-16(27-11(4)23)15(26-10(3)22)13(6-25-9(2)21)28-17(14)29-7-12(24)5-18/h12-17,24H,5-7H2,1-4H3,(H,19,20)/t12?,13-,14-,15-,16-,17+/m1/s1
InChIKey PEYNXWFIAHBILA-NOVYPJJOSA-N
Molecular Weight 455.906 g/mol
SMILES OC(CS[C@@]1(O[C@@]([C@]([C@@]([C@]1(NC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])[H])CCl
SPLASH splash10-0006-9410000000-5452ecdc999529ead67b
Wiley ID 1466262