Boc-D-4-iodophenylalanine supplier

Name
BOC-D-4-IODOPHENYLALANINE
EINECS
CAS No. 176199-35-2
Article Data2
CAS DataBase
Density 1.56 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₈INO₄
Boiling Point 475.3 °C at 760 mmHg
Molecular Weight 391.206
Flash Point 241.3 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
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;
PSA 75.63000
LogP 3.20250

Boc-D-4-iodophenylalanine Specification

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

Product Name

BOC-D-4-IODOPHENYLALANINE

Boc-D-4-iodophenylalanine Specification

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