Products 53942-45-3

CAS 53942-45-3 appears in our catalog under these names: Chitotriose undecaacetate, 50 mg, Chitotriose undecaacetate, 95%, Chitotriose Undecaacetate, >95% (HPLC), Chitotriose undecaacetate, Chitotriose undecaacetate, 10 mg. Offered by: Roth, Combi-blocks, TRC, Biosynth. Available pack sizes: 50mg, 100mg, 250mg, 10mg, 20mg.

Structural formula: {0} (CAS {1})

[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-acetyloxyoxan-2-yl]methyl acetate (CAS 53942-45-3) is a chemical compound with the molecular formula C40H57N3O24 and a molecular weight of 963.9 g/mol. IUPAC name: [(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-acetyloxyoxan-2-yl]methyl acetate. InChIKey: XXMZYRVOXWCPFH-RANHEDMISA-N.

Identity
Molecular formulaC40H57N3O24
Molecular weight963.9 g/mol
IUPAC name[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-acetyloxyoxan-2-yl]methyl acetate
InChIKeyXXMZYRVOXWCPFH-RANHEDMISA-N
SMILESCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C

Computed by PubChem (NCBI)