The (S)-N-Boc-2-amino-3,3-diphenylpropionic acid, with the CAS registry number 138662-63-2, has the systematic name of N-(tert-butoxycarbonyl)-β-phenyl-L-phenylalanine. And the molecular formula of this chemical is C20H23NO4. It belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Amino Acid Derivatives; Peptide; Chiral Compound; α-amino. What's more, it should be stored at 0°C.
The physical properties of (S)-N-Boc-2-amino-3,3-diphenylpropionic acid are as following: (1)ACD/LogP: 4.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 14.31; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 53.74; (8)ACD/KOC (pH 7.4): 2.34; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 94.85 cm3; (15)Molar Volume: 292.4 cm3; (16)Polarizability: 37.6×10-24cm3; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.167 g/cm3; (19)Flash Point: 257.8 °C; (20)Enthalpy of Vaporization: 81.27 kJ/mol; (21)Boiling Point: 502.7 °C at 760 mmHg; (22)Vapour Pressure: 6.31E-11 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)C(c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C20H23NO4/c1-20(2,3)25-19(24)21-17(18(22)23)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3,(H,21,24)(H,22,23)/t17-/m0/s1
(3)InChIKey: TYJDOLCFYZSNQC-KRWDZBQOBV
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