(2R,6R)-5-Acetamido-3,5-dideoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranonosyl-(2->6)-beta-D-glycero-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-erythro-hexopyranose
[CAS# 174757-71-2]

Identification

• Name: (2R,6R)-5-Acetamido-3,5-dideoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranonosyl-(2->6)-beta-D-glycero-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-erythro-hexopyranose
• Synonyms: (2R,6R)-5-Acetamido-3,5-dideoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranonosyl-(2-> 6)-β-D-glycero-hexopyranosyl-(1-> 4)-2-acetamido-2-deoxy-D-erythro-hexopyranose; 6'-¦Á-Sialyl-N-acetyllactosamine
• Molecular Formula: C₂₅H₄₂N₂O₁₉
• Molecular Weight: 674.60
• CAS Registry Number: 174757-71-2
• SMILES: CC(=O)NC1[C@@H](O[C@](CC1O)(C(=O)O)OC[C@@H]2C(C(C([C@@H](O2)O[C@@H]3[C@H](OC(C(C3O)NC(=O)C)O)CO)O)O)O)C(C(CO)O)O
• InChI: 1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9?,10?,11-,12-,13?,14?,15?,16?,17?,18?,19?,20-,21-,22?,23+,25-/m1/s1
• InChIKey: RPSBVJXBTXEJJG-SFGFSGEGSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 1192.4±65.0°C at 760 mmHg (Cal.)
• Flash point: 675.0±34.3°C (Cal.)
• Refractive index: 1.65 (Cal.)