O-Fucopyranosyl-(1-3)-O-galactopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranose (N-acetyl-3'-O-fucopyranosyllactosamine)
[CAS# 121686-59-7]

Identification

• Name: O-Fucopyranosyl-(1-3)-O-galactopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranose (N-acetyl-3'-O-fucopyranosyllactosamine)
• Synonyms: N-[(1R,2R,3R,4R)-1-Formyl-4,5-Dihydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Pentyl]Acetamide; N-[(1R,2R,3R,4R)-1-Formyl-4,5-Dihydroxy-2-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-[[(2S,3S,4R,5S,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]Pentyl]Acetamide; N-[(1R,2R,3R,4R)-1-Formyl-4,5-Dihydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Pentyl]Acetamide
• Molecular Formula: C₂₀H₃₅NO₁₅
• Molecular Weight: 529.49
• CAS Registry Number: 121686-59-7
• SMILES: [C@H](C=O)([C@@H](O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O1)CO)[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@H](O)[C@@H](O2)C)[C@H](O)CO)NC(=O)C
• InChI: 1S/C20H35NO15/c1-6-11(27)13(29)15(31)19(33-6)36-18(9(26)4-23)17(8(3-22)21-7(2)25)35-20-16(32)14(30)12(28)10(5-24)34-20/h3,6,8-20,23-24,26-32H,4-5H2,1-2H3,(H,21,25)/t6-,8-,9+,10+,11+,12-,13+,14-,15-,16+,17+,18+,19-,20+/m0/s1
• InChIKey: HHQLEBOUBWWITP-KPYHOPCKSA-N

Properties

• Density: 1.606g/cm³ (Cal.)
• Boiling point: 977.193°C at 760 mmHg (Cal.)
• Flash point: 544.787°C (Cal.)