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CAS No.: | 198545-46-9 |
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Name: | FMOC-D-2-Fluorophe |
Molecular Structure: | |
Formula: | C24H20FNO4 |
Molecular Weight: | 405.426 |
Synonyms: | Fmoc-D-2-Fluorophe;Fmoc-D-Phe(2-F)-OH;N-Fluorenylmethoxycarbonyl-D-2-fluorophenylalanine; |
Density: | 1.317 g/cm3 |
Melting Point: | 145.3 °C |
Boiling Point: | 620.3 °C at 760 mmHg |
Flash Point: | 328.9 °C |
Appearance: | off-white to beige crystalline powder |
Safety: | 24/25 |
PSA: | 75.63000 |
LogP: | 4.75100 |
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The D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-fluoro-, with CAS registry number 198545-46-9, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Peptide; (4)A-amino. It has the systematic name of N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-fluoro-D-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]-2-fluoro-: (1)ACD/LogP: 5.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 58.45; (6)ACD/BCF (pH 7.4): 2.19; (7)ACD/KOC (pH 5.5): 156.67; (8)ACD/KOC (pH 7.4): 5.88; (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: 96.64 kJ/mol; (19)Vapour Pressure: 3.03E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccccc1C[C@H](C(=O)O)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C24H20FNO4/c25-21-12-6-1-7-15(21)13-22(23(27)28)26-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
(3)InChIKey: ARHOAMSIDCQWEW-JOCHJYFZBW
(4)Std. InChI: InChI=1S/C24H20FNO4/c25-21-12-6-1-7-15(21)13-22(23(27)28)26-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
(5)Std. InChIKey: ARHOAMSIDCQWEW-JOCHJYFZSA-N