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CAS No.: | 176199-35-2 |
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Name: | BOC-D-4-IODOPHENYLALANINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C14H18INO4 |
Molecular Weight: | 391.206 |
Synonyms: | N-(tert-butoxycarbonyl)-4-iodo-D-phenylalanine;(2R)-3-(4-Iodophenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid;4-Iodo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine;D-phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-iodo-;(2R)-2-[(tert-butoxycarbonyl)amino]-3-(4-iodophenyl)propanoic acid;4-Iodo-D-phenylalanine, N-BOC protected;Boc-4-iodo-D-phenylalanine;Boc-D-Phe(4-I)-OH; |
Density: | 1.56 g/cm3 |
Boiling Point: | 475.3 °C at 760 mmHg |
Flash Point: | 241.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 75.63000 |
LogP: | 3.20250 |
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The Boc-D-4-iodophenylalanine, with the CAS registry number 176199-35-2, has the systematic name of N-(tert-butoxycarbonyl)-4-iodo-D-phenylalanine. It belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Amino Acid Derivatives. And it should be stored at 0°C. The molecular formula of the chemical is C14H18INO4.
The characteristics of Boc-D-4-iodophenylalanine are as followings: (1)ACD/LogP: 4.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.72; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 83.36 cm3; (15)Molar Volume: 250.7 cm3; (16)Polarizability: 33.04×10-24cm3; (17)Surface Tension: 49.5 dyne/cm; (18)Density: 1.56 g/cm3; (19)Flash Point: 241.3 °C; (20)Enthalpy of Vaporization: 77.83 kJ/mol; (21)Boiling Point: 475.3 °C at 760 mmHg; (22)Vapour Pressure: 7.68E-10 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Ic1ccc(cc1)C[C@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C14H18INO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
(3)InChIKey: JZLZDBGQWRBTHN-LLVKDONJBV