FMOC-D-4-Fluorophe

The Fmoc-4-fluoro-D-phenylalanine, with the CAS registry number 177966-64-2, is also known as ZINC00621945. It belongs to the product categories of Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids; Amino Acid Derivatives; Peptide; a-Amino. This chemical's molecular formula is C₂₄H₂₀FNO₄ and molecular weight is 405.4183. Its IUPAC name is called (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl) propanoate. When you are using this chemical, please be cautious about it. You must avoid contact with skin and eyes. The product should be stored in cool and dry place at 2-8 °C.

Physical properties of Fmoc-4-fluoro-D-phenylalanine: (1)ACD/LogP: 5.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 57.65; (6)ACD/BCF (pH 7.4): 2.18; (7)ACD/KOC (pH 5.5): 154.53; (8)ACD/KOC (pH 7.4): 5.85; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.622; (13)Molar Refractivity: 108.39 cm³; (14)Molar Volume: 307.6 cm³; (15)Surface Tension: 55.9 dyne/cm; (16)Density: 1.317 g/cm³; (17)Flash Point: 331.1 °C; (18)Enthalpy of Vaporization: 97.13 kJ/mol; (19)Boiling Point: 623.9 °C at 760 mmHg; (20)Vapour Pressure: 1.99E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=C(C=C4)F)C(=O)[O-]
(2)Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CC=C(C=C4)F)C(=O)[O-]
(3)InChI: InChI=1S/C24H20FNO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/p-1/t22-/m1/s1
(4)InChIKey: IXUMACXMEZBPJG-JOCHJYFZSA-M