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CAS No.: | 198545-59-4 |
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Name: | FMOC-D-3,4-Difluorophe |
Molecular Structure: | |
Formula: | C24H19F2NO4 |
Molecular Weight: | 423.416 |
Synonyms: | Fmoc-D-Phe(3,4-DiF)-OH;Fmoc-D-3,4-Difluorophe;N-Fluorenylmethoxycarbonyl-D-3,4-difluorophenylalanine; |
Density: | 1.357 g/cm3 |
Melting Point: | 162-172 °C |
Boiling Point: | 622.7 °C at 760 mmHg |
Flash Point: | 330.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 75.63000 |
LogP: | 4.89010 |
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The D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,4-difluoro-, with CAS registry number 198545-59-4, 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]-3,4-difluoro-D-phenylalanine. This chemical should be stored at the temperature of 2-8°C.
Physical properties of D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,4-difluoro-: (1)ACD/LogP: 5.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 46.42; (6)ACD/BCF (pH 7.4): 1.95; (7)ACD/KOC (pH 5.5): 126.83; (8)ACD/KOC (pH 7.4): 5.32; (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: 96.96 kJ/mol; (19)Vapour Pressure: 2.29E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1F)C[C@H](C(=O)O)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C24H19F2NO4/c25-20-10-9-14(11-21(20)26)12-22(23(28)29)27-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m1/s1
(3)InChIKey: IHSYIDJNVXPQRM-JOCHJYFZBR
(4)Std. InChI: InChI=1S/C24H19F2NO4/c25-20-10-9-14(11-21(20)26)12-22(23(28)29)27-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m1/s1
(5)Std. InChIKey: IHSYIDJNVXPQRM-JOCHJYFZSA-N