L-Asparticacid, 1-(phenylmethyl) ester (7362-93-8)

The IUPAC name of H-Asp-OBzl is 3-amino-4-oxo-4-phenylmethoxybutanoic acid. With the CAS registry number 7362-93-8, it is also named as L-Aspartic acid, 1-(phenylmethyl) ester. The product's categories are Amino Acids Derivatives; Amino Acids; Aspartic acid [Asp, D]; Amino Acids and Derivatives; Amino Acid Benzyl Esters; Amino Acids (C-Protected); Biochemistry. It is used in peptide synthesis. Additionally, this chemical should be sealed in the conmtainer and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.563; (11)Molar Refractivity: 56.53 cm³; (12)Molar Volume: 173.9 cm³; (13)Polarizability: 22.41×10^-24 cm³; (14)Surface Tension: 56.1 dyne/cm; (15)Enthalpy of Vaporization: 67.56 kJ/mol; (16)Vapour Pressure: 8.17E-07 mmHg at 25°C; (17)Rotatable Bond Count: 6; (18)Exact Mass: 223.084458; (19)MonoIsotopic Mass: 223.084458; (20)Topological Polar Surface Area: 89.6; (21)Heavy Atom Count: 16; (22)Complexity: 248.

People can use the following data to convert to the molecule structure.
1. SMILES:[O-]C(=O)C[C@@H](C(=O)OCc1ccccc1)[NH3+]
2. InChI:InChI=1/C11H13NO4/c12-9(6-10(13)14)11(15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9-/m0/s1