Basic Information | Post buying leads | Suppliers |
Name |
Fmoc-D-2-Trifluoromethylphenylalanine |
EINECS | N/A |
CAS No. | 352523-15-0 | Density | 1.351 g/cm3 |
PSA | 75.63000 | LogP | 5.63070 |
Solubility | N/A | Melting Point |
N/A |
Formula | C25H20F3NO4 | Boiling Point | 609.9 °C at 760 mmHg |
Molecular Weight | 455.43 | Flash Point | 322.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Fmoc-D-2-Trifluoromethylphenylalanine; |
The IUPAC name of Fmoc-D-2-Trifluoromethylphenylalanine is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(trifluoromethyl)phenyl]propanoic acid. With the CAS registry number 352523-15-0, it is also named as D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-(trifluoromethyl)-. The product's categories are Phenylalanine Analogs and other Aromatic Alpha Amino Acids; A-amino. Besides, it should be stored at 2-8 °C. In addition, its molecular formula is C25H20F3NO4 and molecular weight is 455.43.
The other characteristics of Fmoc-D-2-Trifluoromethylphenylalanine can be summarized as: (1)ACD/LogP: 5.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 111.49; (6)ACD/BCF (pH 7.4): 5.02; (7)ACD/KOC (pH 5.5): 230.74; (8)ACD/KOC (pH 7.4): 10.39; (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)Density: 1.351 g/cm3; (19)Flash Point: 322.7 °C; (20)Enthalpy of Vaporization: 95.25 kJ/mol; (21)Boiling Point: 609.9 °C at 760 mmHg; (22)Vapour Pressure: 9.94E-16 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)c1ccccc1C[C@H](C(=O)O)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C25H20F3NO4/c26-25(27,28)21-12-6-1-7-15(21)13-22(23(30)31)29-24(32)33-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,29,32)(H,30,31)/t22-/m1/s1
(3)InChIKey: KSQOLKMHJFBQNA-JOCHJYFZBN
(4)Std. InChI: InChI=1S/C25H20F3NO4/c26-25(27,28)21-12-6-1-7-15(21)13-22(23(30)31)29-24(32)33-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,29,32)(H,30,31)/t22-/m1/s1
(5)Std. InChIKey: KSQOLKMHJFBQNA-JOCHJYFZSA-N