(5xi)-2-Acetamido-3,4,6-Tri-O-Acetyl-2-Deoxy-beta-D-Lyxo-Hexopyranosyl-(1->4)-(5xi)-2-Acetamido-3,6-Di-O-Acetyl-2-Deoxy-beta-D-Lyxo-Hexopyranosyl-(1->4)-(5xi)-2-Acetamido-3,6-Di-O-Acetyl-2-Deoxy-beta- D-Lyxo-Hexopyranosyl-(1->4)-(5xi)-2-Acetamido-1,3,6-Tri-O-Acetyl-2-Deoxy-beta-D-Lyxo-Hexopyranose
[CAS# 117399-51-6]

Identification

• Name: (5xi)-2-Acetamido-3,4,6-Tri-O-Acetyl-2-Deoxy-beta-D-Lyxo-Hexopyranosyl-(1->4)-(5xi)-2-Acetamido-3,6-Di-O-Acetyl-2-Deoxy-beta-D-Lyxo-Hexopyranosyl-(1->4)-(5xi)-2-Acetamido-3,6-Di-O-Acetyl-2-Deoxy-beta- D-Lyxo-Hexopyranosyl-(1->4)-(5xi)-2-Acetamido-1,3,6-Tri-O-Acetyl-2-Deoxy-beta-D-Lyxo-Hexopyranose
• Synonyms: Chitotetraose Tetradecaacetate
• Molecular Formula: C₅₂H₇₄N₄O₃₁
• Molecular Weight: 1251.15
• CAS Registry Number: 117399-51-6
• SMILES: CC(=O)N[C@H]1[C@H]([C@@H](C(O[C@H]1O[C@H]2[C@@H]([C@@H]([C@@H](OC2COC(=O)C)O[C@H]3[C@@H]([C@@H]([C@@H](OC3COC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)O[C@H]4[C@H]([C@H]([C@@H](C(O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C
• InChI: 1S/C52H74N4O31/c1-19(57)53-37-46(77-29(11)67)42(34(16-72-24(6)62)81-49(37)80-32(14)70)85-51-39(55-21(3)59)48(79-31(13)69)44(36(83-51)18-74-26(8)64)87-52-40(56-22(4)60)47(78-30(12)68)43(35(84-52)17-73-25(7)63)86-50-38(54-20(2)58)45(76-28(10)66)41(75-27(9)65)33(82-50)15-71-23(5)61/h33-52H,15-18H2,1-14H3,(H,53,57)(H,54,58)(H,55,59)(H,56,60)/t33?,34?,35?,36?,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-/m0/s1
• InChIKey: OYGWXILTVZPHON-LIZBZGSPSA-N

Properties

• Density: 1.405g/cm³ (Cal.)
• Boiling point: 1197.239°C at 760 mmHg (Cal.)
• Flash point: 677.866°C (Cal.)
• Refractive index: 1.542 (Cal.)