Methyl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranoside
[CAS# 141612-87-5]

Identification

• Name: Methyl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranoside
• Synonyms: SIA-(2-3)GAL-(1-4)1NA-(3-1)FUC; SIA-(2-3)GAL-(1-4)MAG-(3-1)FUC
• Molecular Formula: C₃₂H₅₄N₂O₂₃
• Molecular Weight: 834.77
• CAS Registry Number: 141612-87-5
• SMILES: O=C(N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(O[C@@H]2[C@@H](O)[C@@H](O[C@H](CO)[C@@H]2O)O[C@H]4[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@@H](NC(=O)C)[C@H](OC)O[C@@H]4CO)C(=O)O)C
• InChI: 1S/C32H54N2O23/c1-9-18(42)21(45)22(46)29(51-9)55-26-17(34-11(3)39)28(50-4)53-15(8-37)24(26)54-30-23(47)27(20(44)14(7-36)52-30)57-32(31(48)49)5-12(40)16(33-10(2)38)25(56-32)19(43)13(41)6-35/h9,12-30,35-37,40-47H,5-8H2,1-4H3,(H,33,38)(H,34,39)(H,48,49)/t9-,12-,13+,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28+,29-,30-,32-/m0/s1
• InChIKey: BEVDUZXAAXDNBM-NKMYSRQPSA-N

Properties

• Density: 1.645g/cm³ (Cal.)
• Boiling point: 1241.392°C at 760 mmHg (Cal.)
• Flash point: 704.568°C (Cal.)
• Refractive index: 1.634 (Cal.)