2-Acetamido-2-Deoxy-N-(N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-beta-Aspartyl)-beta-D-Glucopyranosylamine
[CAS# 137255-40-4]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Asparagine derivatives
• Name: 2-Acetamido-2-Deoxy-N-(N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-beta-Aspartyl)-beta-D-Glucopyranosylamine
• Synonyms: Nω-(2-Acetamido-2-deoxy-β-D-glucopyranosyl)-Nα-(tert-butoxycarbonyl)-L-asparagine
• Molecular Formula: C₁₇H₂₉N₃O₁₀
• Molecular Weight: 435.43
• CAS Registry Number: 137255-40-4
• SMILES: O=C(N[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
• InChI: 1S/C17H29N3O10/c1-7(22)18-11-13(25)12(24)9(6-21)29-14(11)20-10(23)5-8(15(26)27)19-16(28)30-17(2,3)4/h8-9,11-14,21,24-25H,5-6H2,1-4H3,(H,18,22)(H,19,28)(H,20,23)(H,26,27)/t8-,9+,11+,12+,13+,14+/m0/s1
• InChIKey: YVKMLCHQJOPFTE-WBXKCMFOSA-N

Properties

• Density: 1.423g/cm³ (Cal.)
• Melting point: 213°C (Expl.)
• Boiling point: 834.873°C at 760 mmHg (Cal.)
• Flash point: 458.715°C (Cal.)
• Refractive index: 1.565 (Cal.)