Methyl phenyl (6R)-5-acetamido-4-O-acetyl-3,5-dideoxy-2-thio-6-[(1S,2R)-1,2,3-triacetoxypropyl]-L-threo-hex-2-ulopyranosidonate
[CAS# 155155-64-9]

Identification

• Classification: Biochemical >> Carbohydrate >> Monosaccharide
• Name: Methyl phenyl (6R)-5-acetamido-4-O-acetyl-3,5-dideoxy-2-thio-6-[(1S,2R)-1,2,3-triacetoxypropyl]-L-threo-hex-2-ulopyranosidonate
• Synonyms: METHYL (PHENYL 5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-2-THIO-D-GLYCERO-D-GALACTO-2-NONULOPYRANOSID)ONATE; Methyl 5-Acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-2-S-phenyl-2-thio-D-glycero-D-galacto-2-nonulopyranosylonate; Phenyl 4,7,8,9-tetra-O-acetyl-2-thio-N-acetyl-D-neuraminic acid methyl ester
• Molecular Formula: C₂₆H₃₃NO₁₂S
• Molecular Weight: 583.60
• CAS Registry Number: 155155-64-9
• SMILES: O=C(OC[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]2OC(Sc1ccccc1)(C(=O)OC)C[C@H](OC(=O)C)[C@H]2NC(=O)C)C
• InChI: 1S/C26H33NO12S/c1-14(28)27-22-20(36-16(3)30)12-26(25(33)34-6,40-19-10-8-7-9-11-19)39-24(22)23(38-18(5)32)21(37-17(4)31)13-35-15(2)29/h7-11,20-24H,12-13H2,1-6H3,(H,27,28)/t20-,21+,22+,23+,24+,26?/m0/s1
• InChIKey: NPLKOUSSDBQHEN-MVWXVPEESA-N

Properties

• Density: 1.329g/cm³ (Cal.)
• Boiling point: 670.995°C at 760 mmHg (Cal.)
• Flash point: 359.605°C (Cal.)
• Refractive index: 1.55 (Cal.)