Peracetylchitobiose

Catalog	BBC41670999
CAS	41670-99-9
Structure
Synonyms	2-(AcetylaMino)-2-deoxy-4-O-[3,4,6-tri-O-acetyl-2-(acetylaMino)-2-deoxy-β-D-glucopyranosyl]-D-glucopyranose 1,3,6-Triacetate
IUPAC Name	[(2R,3S,4R,5R)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,6-diacetyloxyoxan-2-yl]methyl acetate
Molecular Weight	676.62
Molecular Formula	C28H40N2O17
Canonical SMILES	CC(=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)OC(=O)C)OC(=O)C
InChI	InChI=1S/C28H40N2O17/c1-11(31)29-21-26(43-17(7)37)24(20(10-40-14(4)34)45-27(21)44-18(8)38)47-28-22(30-12(2)32)25(42-16(6)36)23(41-15(5)35)19(46-28)9-39-13(3)33/h19-28H,9-10H2,1-8H3,(H,29,31)(H,30,32)/t19-,20-,21-,22-,23-,24-,25-,26-,27?,28+/m1/s1
InChI Key	JUYKRZRMNHWQCD-NCBZWLQXSA-N
Melting Point	304-405 °C
Purity	98%
Appearance	Solid