(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-alpha-L-threo-hex-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose
[CAS# 78969-47-8]

Identification

• Name: (6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-alpha-L-threo-hex-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose
• Synonyms: 6'-Sialyl-N-acetyllactosamine; 37966_FLUKA
• Molecular Formula: C₂₅H₄₂N₂O₁₉
• Molecular Weight: 674.60
• CAS Registry Number: 78969-47-8
• SMILES: O=C(N[C@@H]1[C@@H](O)C[C@@](O[C@H]1[C@H](O)[C@H](O)CO)(OC[C@H]3O[C@@H](O[C@@H]2[C@H](OC(O)[C@H](NC(=O)C)[C@H]2O)CO)[C@H](O)[C@@H](O)[C@H]3O)C(=O)O)C
• 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-/m0/s1
• InChIKey: RPSBVJXBTXEJJG-RAMSCCQBSA-N

Properties

• Density: 1.701g/cm³ (Cal.)
• Boiling point: 1192.446°C at 760 mmHg (Cal.)
• Flash point: 674.967°C (Cal.)