Chitohexaose
[CAS# 6734-92-5]

Identification

• Name: Chitohexaose
• Synonyms: O-2-Amino-2-deoxy-beta-D-glucopyranosyl-(1→4)-O-2-amino-2-deoxy-beta-D-glucopyranosyl-(1→4)-O-2-amino-2-deoxy-beta-D-glucopyranosyl-(1→4)-O-2-amino-2-deoxy-beta-D-glucopyranosyl-(1→4)-O-2-amino-2-deoxy-beta-D-glucopyranosyl-(1→4)-2-amino-2-deoxy-beta-D-glucopyranose
• Molecular Formula: C₃₆H₆₈N₆O₂₅
• Molecular Weight: 984.96
• CAS Registry Number: 6734-92-5
• SMILES: OC[C@H]1O[C@H]([C@H](N)[C@@H](O)[C@@H]1O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4N)CO)[C@H](O)[C@H]3N)CO)[C@H](O)[C@H]2N)CO)O[C@@H]5[C@H](O[C@@H](O[C@@H]6[C@H](OC(O)[C@H](N)[C@H]6O)CO)[C@H](N)[C@H]5O)CO
• InChI: 1S/C36H68N6O25/c37-13-21(51)26(8(2-44)57-31(13)56)63-33-15(39)23(53)28(10(4-46)59-33)65-35-17(41)25(55)30(12(6-48)61-35)67-36-18(42)24(54)29(11(5-47)62-36)66-34-16(40)22(52)27(9(3-45)60-34)64-32-14(38)20(50)19(49)7(1-43)58-32/h7-36,43-56H,1-6,37-42H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31?,32+,33+,34+,35+,36+/m1/s1
• InChIKey: TVFFFBGOCAKQBH-YZSRZROSSA-N

Properties

• Density: 1.738g/cm³ (Cal.)
• Boiling point: 1267.113°C at 760 mmHg (Cal.)
• Flash point: 720.124°C (Cal.)