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CAS No.: | 205526-25-6 |
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Name: | FMOC-D-3,5-DIFLUOROPHE |
Molecular Structure: | |
Formula: | C24H19F2NO4 |
Molecular Weight: | 423.41 |
Synonyms: | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3,5-difluoro-D-phenylalanine; |
Density: | 1.357 g/cm3 |
Boiling Point: | 610.7 °C at 760 mmHg |
Flash Point: | 323.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 75.63000 |
LogP: | 4.89010 |
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The D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,5-difluoro-, with CAS registry number 205526-25-6, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Amino Acid Derivatives; (4)Peptide. It has the systematic name of N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,5-difluoro-D-phenylalanine. This chemical should be stored at the temperature of 0°C.
Physical properties of D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,5-difluoro-: (1)ACD/LogP: 5.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 51.39; (6)ACD/BCF (pH 7.4): 2.35; (7)ACD/KOC (pH 5.5): 131.76; (8)ACD/KOC (pH 7.4): 6.02; (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: 1.611; (14)Molar Refractivity: 108.38 cm3; (15)Molar Volume: 311.8 cm3; (16)Polarizability: 42.96×10-24cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Enthalpy of Vaporization: 95.35 kJ/mol; (19)Vapour Pressure: 9.12E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(F)c1)C[C@H](C(=O)O)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C24H19F2NO4/c25-15-9-14(10-16(26)12-15)11-22(23(28)29)27-24(30)31-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,12,21-22H,11,13H2,(H,27,30)(H,28,29)/t22-/m1/s1
(3)InChIKey: UYEQBZISDRNPFC-JOCHJYFZBM
(4)Std. InChI: InChI=1S/C24H19F2NO4/c25-15-9-14(10-16(26)12-15)11-22(23(28)29)27-24(30)31-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,12,21-22H,11,13H2,(H,27,30)(H,28,29)/t22-/m1/s1
(5)Std. InChIKey: UYEQBZISDRNPFC-JOCHJYFZSA-N