N,N'-Diacetylchitobiose

• CAS: 35061-50-8
• Catalog Number: ACM35061508
• Category: Other Products
• Molecular Weight: 424.4
• Molecular Formula: C₁₆H₂₈N₂O₁₁
• Synonyms: Di-N-Acetyl-D-chitobiose
• IUPAC Name: N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• Canonical SMILES: CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)O
• InChI: InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15,16+/m1/s1
• InChI Key: CDOJPCSDOXYJJF-CBTAGEKQSA-N
• Boiling Point: 927.7±65.0 °C
• Melting Point: 245-247 °C
• Density: 1.50±0.1 g/cm³
• Solubility: ≥5mg/mL in water
• Complexity: 579
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 9
• Exact Mass: 424.16930971
• Heavy Atom Count: 29
• 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]2O)NC(=O)C)O)CO)CO)O)O
• Monoisotopic Mass: 424.16930971
• Physical State: White to pale yellow solid
• Storage Conditions: -20 °C
• Topological Polar Surface Area: 207 Ų