Chitobiose octaacetate

• CAS: 41670-99-9
• Catalog Number: ACM41670999
• Category: Other Products
• Molecular Weight: 676.6
• Molecular Formula: C₂₈H₄₀N₂O₁₇
• Synonyms: N,N'-Diacetylchitobiose hexaacetate
• 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
• Canonical SMILES: CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2OC(=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
• Appearance: White Crystalline Solid
• Complexity: 1210
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 9
• Exact Mass: 676.23269781
• Heavy Atom Count: 47
• Isomeric 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
• Monoisotopic Mass: 676.23269781
• Physical State: White solid
• Storage Conditions: -20 °C
• Topological Polar Surface Area: 244 Ų