Basic Information | Post buying leads | Suppliers |
Name |
Fmoc-D-3-Trifluoromethylphenylalanine |
EINECS | N/A |
CAS No. | 205526-28-9 | Density | 1.351 g/cm3 |
PSA | 75.63000 | LogP | 5.63070 |
Solubility | N/A | Melting Point |
140°C |
Formula | C25H20F3NO4 | Boiling Point | 611.2 °C at 760 mmHg |
Molecular Weight | 455.43 | Flash Point | 323.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)-L-phenylalanine;L-phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)-; |
The D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)-, with CAS registry number 205526-28-9, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Amino Acid Derivatives; (4)A-amino. It has the systematic name of N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)-L-phenylalanine. This chemical should be stored at the temperature of 2-8°C.
Physical properties of D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)-: (1)ACD/LogP: 5.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 122.54; (6)ACD/BCF (pH 7.4): 5.16; (7)ACD/KOC (pH 5.5): 253.59; (8)ACD/KOC (pH 7.4): 10.68; (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: 1.587; (14)Molar Refractivity: 113.38 cm3; (15)Molar Volume: 336.9 cm3; (16)Polarizability: 44.94×10-24cm3; (17)Surface Tension: 49 dyne/cm; (18)Enthalpy of Vaporization: 95.42 kJ/mol; (19)Vapour Pressure: 8.56E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1)C[C@@H](C(=O)O)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C25H20F3NO4/c26-25(27,28)16-7-5-6-15(12-16)13-22(23(30)31)29-24(32)33-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,29,32)(H,30,31)/t22-/m0/s1
(3)InChIKey: AJMRBDCOLBEYRZ-QFIPXVFZBQ
(4)Std. InChI: InChI=1S/C25H20F3NO4/c26-25(27,28)16-7-5-6-15(12-16)13-22(23(30)31)29-24(32)33-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,29,32)(H,30,31)/t22-/m0/s1
(5)Std. InChIKey: AJMRBDCOLBEYRZ-QFIPXVFZSA-N