D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro- supplier

Name
BOC-D-3,5-DIFLUOROPHE
EINECS
CAS No. 205445-53-0
Article Data2
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₇F₂NO₄
Boiling Point 417.6 °C at 760 mmHg
Molecular Weight 301.29
Flash Point 206.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms N-(tert-butoxycarbonyl)-3,5-difluoro-D-phenylalanine; BOC-D-3,5-DIFLUOROPHENYLALANINE; Boc-3,5-difluoro-D-phenylalanine; BOC-D-3,5-DIFLUOROPHE; BOC-D-PHE(3,5-DIF)-OH; Boc-D-3,5-Difluoro-phe-OH; 查看更多英文别名收起
PSA 75.63000
LogP 2.87610

D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro- Specification

The D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro-, with CAS registry number 205445-53-0, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Peptide. It has the systematic name of N-(tert-butoxycarbonyl)-3,5-difluoro-D-phenylalanine. This chemical should be stored at the temperature of 0°C.

Physical properties of D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro-: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): -0.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.31; (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: 1.506; (14)Molar Refractivity: 70.44 cm³; (15)Molar Volume: 237 cm³; (16)Polarizability: 27.92×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Enthalpy of Vaporization: 70.75 kJ/mol; (19)Vapour Pressure: 1.01E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(F)c1)C[C@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)6-8-4-9(15)7-10(16)5-8/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1
(3)InChIKey: CZBNUDVCRKSYDG-LLVKDONJBF
(4)Std. InChI: InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)6-8-4-9(15)7-10(16)5-8/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1
(5)Std. InChIKey: CZBNUDVCRKSYDG-LLVKDONJSA-N

Product Name

BOC-D-3,5-DIFLUOROPHE

D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro- Specification

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