(R)-N-BOC-3-Chlorophenylalanine

The D-Phenylalanine,3-chloro-N-[(1,1-dimethylethoxy)carbonyl]-, with CAS registry number 80102-25-6, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Amino Acid Derivatives; (4)Phenylalanine [Phe, F]; (5)Unusual Amino Acids; (6)Boc-Amino acid series; (7)A-amino. It has the systematic name of N-(tert-butoxycarbonyl)-3-chloro-L-phenylalanine. This chemical should be stored at the temperature of 0°C. When use this chemical, please do not breathe dust and avoid contact with skin and eyes.

Physical properties of D-Phenylalanine,3-chloro-N-[(1,1-dimethylethoxy)carbonyl]-: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 2.19; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.06; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 75.35 cm³; (15)Molar Volume: 240.5 cm³; (16)Polarizability: 29.87×10^-24cm³; (17)Surface Tension: 45.6 dyne/cm; (18)Enthalpy of Vaporization: 75 kJ/mol; (19)Vapour Pressure: 5.61E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1)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)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
(3)InChIKey: RCZHBTHQISEPPP-NSHDSACABK
(4)Std. InChI: InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
(5)Std. InChIKey: RCZHBTHQISEPPP-NSHDSACASA-N