Boc-O-ethyl-L-tyrosine supplier

Name
BOC-TYR(ET)-OH
EINECS
CAS No. 76757-91-0
Article Data3
CAS DataBase
Density 1.149 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₃NO₅
Boiling Point 472.7 °C at 760 mmHg
Molecular Weight 309.362
Flash Point 239.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(tert-butoxycarbonyl)-O-ethyl-L-tyrosine;L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-ethyl-;(2S)-2-{[(Tert-Butoxy)Carbonyl]Amino}-3-(4-Ethoxyphenyl)Propanoic Acid;Boc-O-ethyl-L-tyrosine;Boc-Tyr(Et)-OH;Boc-Tyr-OEt;
PSA 84.86000
LogP 2.99660

Boc-O-ethyl-L-tyrosine Specification

The Boc-O-ethyl-L-tyrosine, with the CAS registry number 76757-91-0, has the systematic name of N-(tert-butoxycarbonyl)-O-ethyl-L-tyrosine. It should be stored at 0-5°C, and belongs to the product categories: Tyrosine [Tyr, Y]; Boc-Amino Acids and Derivative; Boc-Amino acid series. The molecular formula of the chemical is C₁₆H₂₃NO₅.

The characteristics of Boc-O-ethyl-L-tyrosine are as followings: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): -0.11; (5)ACD/BCF (pH 5.5): 2.23; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.55; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 65.07 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 81.76 cm³; (15)Molar Volume: 269.1 cm³; (16)Polarizability: 32.41×10^-24cm³; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.149 g/cm³; (19)Flash Point: 239.7 °C; (20)Enthalpy of Vaporization: 77.5 kJ/mol; (21)Boiling Point: 472.7 °C at 760 mmHg; (22)Vapour Pressure: 9.7E-10 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(OCC)cc1
(2)InChI: InChI=1/C16H23NO5/c1-5-21-12-8-6-11(7-9-12)10-13(14(18)19)17-15(20)22-16(2,3)4/h6-9,13H,5,10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1
(3)InChIKey: NCLAAKQIHUIOIV-ZDUSSCGKBU

Product Name

BOC-TYR(ET)-OH

Boc-O-ethyl-L-tyrosine Specification

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