Fmoc-D-4-Cyanophenylalanine

The IUPAC name of Fmoc-D-4-Cyanophenylalanine is (2R)-3-(4-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid. With the CAS registry number 205526-34-7, it is also named as Fmoc-4-Cyano-D-phenylalanine. The product's categories are Amino Acids; Phenylalanine Analogs and other Aromatic Alpha Amino Acids; Amino Acid Derivatives; A-amino. Besides, it is off-white to slightly yellow powder, which should be stored in closed, cool and dry place at 2-8 °C. In addition, its molecular formula is C₂₅H₂₀N₂O₄ and molecular weight is 412.44.

The other characteristics of Fmoc-D-4-Cyanophenylalanine can be summarized as: (1)ACD/LogP: 4.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 14.92; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 54.32; (8)ACD/KOC (pH 7.4): 2.49; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 79.63 Å²; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 113.58 cm³; (15)Molar Volume: 303.2 cm³; (16)Polarizability: 45.02×10^-24cm³; (17)Surface Tension: 70.2 dyne/cm; (18)Density: 1.35 g/cm³; (19)Flash Point: 364.3 °C; (20)Melting Point: 188.1 °C; (21)Enthalpy of Vaporization: 104.64 kJ/mol; (22)Boiling Point: 678.7 °C at 760 mmHg; (23)Vapour Pressure: 2.38E-19 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. You should wear suitable protective clothing and gloves when use it.

People can use the following data to convert to the molecule structure.
(1)SMILES: N#Cc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C25H20N2O4/c26-14-17-11-9-16(10-12-17)13-23(24(28)29)27-25(30)31-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m0/s1
(3)InChIKey: JOPKKUTWCGYCDA-QHCPKHFHBL
(4)Std. InChI: InChI=1S/C25H20N2O4/c26-14-17-11-9-16(10-12-17)13-23(24(28)29)27-25(30)31-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m0/s1
(5)Std. InChIKey: JOPKKUTWCGYCDA-QHCPKHFHSA-N