N-Acetylglucosaminyl(beta1-3)-N-Acetylglucosaminyl(1-6)-Galactopyranosyl(1-4)-N-Acetylglucosamine
[CAS# 127212-19-5]

Identification

• Name: N-Acetylglucosaminyl(beta1-3)-N-Acetylglucosaminyl(1-6)-Galactopyranosyl(1-4)-N-Acetylglucosamine
• Synonyms: N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S)-2-[(1S,2R,3R)-3-Acetamido-1-[(1R)-1,2-Dihydroxyethyl]-2-Hydroxy-4-Oxo-Butoxy]-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]-3,5-Dihydroxy-Tetrahydropyran-4-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Acetamide; N-[(2S,3R,4R,5S,6R)-2-[[(2S,3R,4S,5S)-2-[(1S,2R,3R)-3-Acetamido-1-[(1R)-1,2-Dihydroxyethyl]-2-Hydroxy-4-Oxobutoxy]-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]-3,5-Dihydroxy-4-Tetrahydropyranyl]Oxy]-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Acetamide; N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S)-2-[(1S,2R,3R)-3-Acetamido-1-[(1R)-1,2-Dihydroxyethyl]-2-Hydroxy-4-Keto-Butoxy]-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]-3,5-Dihydroxy-Tetrahydropyran-4-Yl]Oxy-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₃₀H₅₁N₃O₂₁
• Molecular Weight: 789.74
• CAS Registry Number: 127212-19-5
• SMILES: [C@@H]3(O[C@@H]1[C@@H](O)[C@H](O[C@@H]([C@H](O)[C@@H](NC(=O)C)C=O)[C@H](O)CO)OC([C@@H]1O)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO
• InChI: 1S/C30H51N3O21/c1-9(38)31-12(4-34)19(42)26(13(41)5-35)53-30-25(48)27(54-29-18(33-11(3)40)24(47)21(44)15(7-37)51-29)22(45)16(52-30)8-49-28-17(32-10(2)39)23(46)20(43)14(6-36)50-28/h4,12-30,35-37,41-48H,5-8H2,1-3H3,(H,31,38)(H,32,39)(H,33,40)/t12-,13+,14+,15+,16?,17+,18+,19+,20+,21+,22-,23+,24+,25+,26+,27-,28+,29-,30-/m0/s1
• InChIKey: SLBVJFUSIXXMDM-AVCFIVELSA-N

Properties

• Density: 1.616g/cm³ (Cal.)
• Boiling point: 1286.615°C at 760 mmHg (Cal.)
• Flash point: 731.918°C (Cal.)