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| CAS No.: | 17543-58-7 |
|---|---|
| Name: | Z-P-FLUORO-PHE-OH |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C17H16FNO4 |
| Molecular Weight: | 317.317 |
| Synonyms: | Alanine,N-carboxy-3-(p-fluorophenyl)-, N-benzyl ester, L- (8CI);N-Carbobenzoxy-p-fluoro-L-phenylalanine;Z-Phe(4-F)-OH; |
| Density: | 1.301 g/cm3 |
| Melting Point: | 158-160℃ (ethyl acetate ligroine ) |
| Boiling Point: | 515.754 °C at 760 mmHg |
| Flash Point: | 265.718 °C |
| PSA: | 75.63000 |
| LogP: | 3.13870 |
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- Total:30 Page 1 of 1 1
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Specification
The L-Phenylalanine,4-fluoro-N-[(phenylmethoxy)carbonyl]-, with the CAS registry number 17543-58-7, has the systematic name of N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanine. It belongs to the following product categories: Phenylalanine [Phe, F]; Unusual Amino Acids; Z-Amino acid series. And the molecular formula of the chemical is C17H16FNO4.
The characteristics of L-Phenylalanine,4-fluoro-N-[(phenylmethoxy)carbonyl]- are as followings: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 2.68; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.86; (8)ACD/KOC (pH 7.4): 1; (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: 1.578; (14)Molar Refractivity: 81.07 cm3; (15)Molar Volume: 243.9 cm3; (16)Polarizability: 32.14×10-24cm3; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 265.7 °C; (20)Enthalpy of Vaporization: 82.93 kJ/mol; (21)Boiling Point: 515.8 °C at 760 mmHg; (22)Vapour Pressure: 1.84E-11 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OCc2ccccc2
(2)InChI: InChI=1/C17H16FNO4/c18-14-8-6-12(7-9-14)10-15(16(20)21)19-17(22)23-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,19,22)(H,20,21)/t15-/m0/s1
(3)InChIKey: YJSNXFAVHKHBPV-HNNXBMFYBA