Benzyl O-galactopyranosyl-(1-3)-O-(2-acetamido-2-deoxyglucopyranosyl)-(1-6)-2-acetamido-2-deoxygalactopyranoside
[CAS# 124040-62-6]

Identification

• Name: Benzyl O-galactopyranosyl-(1-3)-O-(2-acetamido-2-deoxyglucopyranosyl)-(1-6)-2-acetamido-2-deoxygalactopyranoside
• Synonyms: N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-6-(Hydroxymethyl)-2-(Phenylmethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Acetamide; N-[(2R,3R,4R,5R,6R)-2-[[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-5-Hydroxy-6-(Hydroxymethyl)-2-(Phenylmethyl)-4-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl]Acetamide; N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-2-(Benzyl)-5-Hydroxy-6-Methylol-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₂₉H₄₄N₂O₁₆
• Molecular Weight: 676.67
• CAS Registry Number: 124040-62-6
• SMILES: [C@]2(O[C@@H]([C@H](O)[C@H](O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)[C@H]2NC(=O)C)CO)(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO)CC4=CC=CC=C4
• InChI: 1S/C29H44N2O16/c1-12(35)30-18-22(40)19(37)15(9-32)43-27(18)47-29(8-14-6-4-3-5-7-14)26(31-13(2)36)25(21(39)17(11-34)46-29)45-28-24(42)23(41)20(38)16(10-33)44-28/h3-7,15-28,32-34,37-42H,8-11H2,1-2H3,(H,30,35)(H,31,36)/t15-,16-,17-,18-,19-,20+,21+,22-,23+,24-,25+,26-,27+,28+,29-/m1/s1
• InChIKey: LVRUBFDCPPFISJ-ILRWZOIZSA-N

Properties

• Density: 1.571g/cm³ (Cal.)
• Boiling point: 1054.339°C at 760 mmHg (Cal.)
• Flash point: 591.443°C (Cal.)