The D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-fluoro-, with CAS registry number 198545-72-1, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Amino Acid Derivatives; (4)Peptide; (5)A-amino. It has the systematic name of N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-fluoro-L-phenylalanine. This chemical should be stored at the temperature of 2-8°C. When use this chemical, avoid contact with skin and eyes.
Physical properties of D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-fluoro-: (1)ACD/LogP: 5.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 51.9; (6)ACD/BCF (pH 7.4): 2.11; (7)ACD/KOC (pH 5.5): 139.1; (8)ACD/KOC (pH 7.4): 5.65; (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: 1.622; (14)Molar Refractivity: 108.39 cm3; (15)Molar Volume: 307.6 cm3; (16)Polarizability: 42.97×10-24cm3; (17)Surface Tension: 55.9 dyne/cm; (18)Enthalpy of Vaporization: 96.35 kJ/mol; (19)Vapour Pressure: 3.89E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(c1)C[C@@H](C(=O)O)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C24H20FNO4/c25-16-7-5-6-15(12-16)13-22(23(27)28)26-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
(3)InChIKey: DWSDVARCJDOADL-QFIPXVFZBW
(4)Std. InChI: InChI=1S/C24H20FNO4/c25-16-7-5-6-15(12-16)13-22(23(27)28)26-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
(5)Std. InChIKey: DWSDVARCJDOADL-QFIPXVFZSA-N
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