Basic Information | Post buying leads | Suppliers |
Name |
Fmoc-3-fluoro-D-phenylalanine |
EINECS | N/A |
CAS No. | 198545-72-1 | Density | 1.317 g/cm3 |
PSA | 75.63000 | LogP | 4.75100 |
Solubility | N/A | Melting Point |
153.5 °C |
Formula | C24H20FNO4 | Boiling Point | 618.1 °C at 760 mmHg |
Molecular Weight | 405.426 | Flash Point | 327.6 °C |
Transport Information | N/A | Appearance | white to yellow-cream granular powder |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Fmoc-D-3-Fluorophe;Fmoc-D-Phe(3-F)-OH;Fluorenylmethoxycarbonyl-D-3-fluorophenylalanine; |
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