Benzyl 4-({(2R,3R,4R,5S,6R)-3-Acetamido-4,5-Bis(Benzyloxy)-6-[(Benzyloxy)Methyl]Tetrahydro-2H-Pyran-2-Yl}Amino)-2-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-4-Oxobutanoate
[CAS# 219968-28-2]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Asparagine derivatives
• Name: Benzyl 4-({(2R,3R,4R,5S,6R)-3-Acetamido-4,5-Bis(Benzyloxy)-6-[(Benzyloxy)Methyl]Tetrahydro-2H-Pyran-2-Yl}Amino)-2-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-4-Oxobutanoate
• Synonyms: "N¦Ø-(2-Acetamido-3,4,6-tri-O-benzyl-2-deoxy-¦Â-D-glucopyranosyl)-N¦Á-Boc-L-asparagine benzyl ester"; 4-({(2R,3R,4R,5S,6R)-3-Acétamido-4,5-bis(benzyloxy)-6-[(benzyloxy)méthyl]tétrahydro-2H-pyran-2-yl}amino)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoate de benzyle (non-preferred name); Benzyl 4-({(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]tetrahydro-2H-pyran-2-yl}amino)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoate (non-preferred name)
• Molecular Formula: C₄₅H₅₃N₃O₁₀
• Molecular Weight: 795.92
• CAS Registry Number: 219968-28-2
• SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)CC(C(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)COCc3ccccc3)OCc4ccccc4)OCc5ccccc5
• InChI: 1S/C45H53N3O10/c1-31(49)46-39-41(55-28-34-21-13-7-14-22-34)40(54-27-33-19-11-6-12-20-33)37(30-53-26-32-17-9-5-10-18-32)57-42(39)48-38(50)25-36(47-44(52)58-45(2,3)4)43(51)56-29-35-23-15-8-16-24-35/h5-24,36-37,39-42H,25-30H2,1-4H3,(H,46,49)(H,47,52)(H,48,50)/t36?,37-,39-,40-,41-,42-/m1/s1
• InChIKey: CRNGSGNVFXQOBD-AOUVGQCJSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 951.4±65.0°C at 760 mmHg (Cal.)
• Flash point: 529.2±34.3°C (Cal.)
• Refractive index: 1.6 (Cal.)