BOC-D-4-Chlorophe

The IUPAC name of Boc-D-4-Chlorophenylalanine is (2S)-3-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid. With the CAS registry number 57292-44-1, it is also named as tert-Butoxycarbonyl-D-4-chlorophenylalanine. The product's categories are Amino Acids; Phenylalanine Analogs and other Aromatic Alpha Amino Acids; Phenylalanine [Phe, F]; Unusual Amino Acids; Boc-Amino Acid Series; A-Amino. Besides, it is white powder, which should be stored in sealed containers in cool and dry place. And you should ensure that the workplaces have good ventilated or exhaust device. In addition, when you are using this chemical, please avoid contact with skin and eyes.

The other characteristics of Boc-D-4-Chlorophenylalanine can be summarized as: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 2.27; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.68; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6 ; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 75.35 cm³; (14)Molar Volume: 240.5 cm³; (15)Surface Tension: 45.6 dyne/cm; (16)Density: 1.245 g/cm³; (17)Flash Point: 227.5 °C; (18)Melting point: 108 °C; (19)alpha: -24 °(c=1,EtOH); (20)Enthalpy of Vaporization: 75 kJ/mol; (21)Boiling Point: 452.5 °C at 760 mmHg; (22)Vapour Pressure: 5.61E-09 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
(3)InChIKey: BETBOAZCLSJOBQ-NSHDSACABE
(4)Std. InChI: InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
(5)Std. InChIKey: BETBOAZCLSJOBQ-NSHDSACASA-N