CAS No.136207-26-6,BOC-D-PENTAFLUOROPHENYLALANINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	136207-26-6
Name:	BOC-D-PENTAFLUOROPHENYLALANINE
Article Data:	1

Formula:	C₁₄H₁₄F₅NO₄
Molecular Weight:	355.261
Synonyms:	N-(tert-Butoxycarbonyl)-2,3,4,5,6-pentafluoro-L-phenylalanine;N-BOC-Pentafluroro-D-phenylalanine;N-tert-Butoxycarbonyl-2,3,4,5,6-pentafluoro-D-phenylalanine;N-(tert-butoxycarbonyl)-2,3,4,5,6-pentafluoro-L-phenylalanine;(2S)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-(pentafluorophenyl)propanoic acid;2,3,4,5,6-Pentafluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine;L-phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2,3,4,5,6-pentafluoro-;
Density:	1.422 g/cm³
Boiling Point:	411.1 °C at 760 mmHg
Flash Point:	202.4 °C
Hazard Symbols:	Xi
PSA:	75.63000
LogP:	3.29340

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Specification

The Boc-D-pentafluorophenylalanine, with the CAS registry number 136207-26-6, has the systematic name of N-(tert-butoxycarbonyl)-2,3,4,5,6-pentafluoro-L-phenylalanine. It should be stored at -15°C. And it belongs to the product categories of Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids; a-Amino. The molecular formula of the chemical is C₁₄H₁₄F₅NO₄.

The characteristics of Boc-D-pentafluorophenylalanine are as followings: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): -0.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.24; (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: 1.476; (14)Molar Refractivity: 70.42 cm³; (15)Molar Volume: 249.6 cm³; (16)Polarizability: 27.91×10^-24cm³; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.422 g/cm³; (19)Flash Point: 202.4 °C; (20)Enthalpy of Vaporization: 69.96 kJ/mol; (21)Boiling Point: 411.1 °C at 760 mmHg; (22)Vapour Pressure: 1.7E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(c(F)c(F)c(F)c1F)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C14H14F5NO4/c1-14(2,3)24-13(23)20-6(12(21)22)4-5-7(15)9(17)11(19)10(18)8(5)16/h6H,4H2,1-3H3,(H,20,23)(H,21,22)/t6-/m0/s1
(3)InChIKey: UZDKQMIDSLETST-LURJTMIEBI