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CAS No.: | 76757-90-9 |
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Name: | BOC-D-TYR-OME |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C15H21NO5 |
Molecular Weight: | 295.335 |
Synonyms: | D-N-tert-Butoxycarbonyltyrosinemethyl ester;Methyl (R)-2-[(tert-Butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propionate;N-BOC-D-tyrosine methyl ester;N-tert-Butoxycarbonyl-D-tyrosine methyl ester;D-tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester;Methyl N-(tert-butoxycarbonyl)-D-tyrosinate;BOC-D-TYR-OME;Boc-D-tyrosine methyl ester; |
EINECS: | 201-525-2 |
Density: | 1.169 g/cm3 |
Boiling Point: | 452.7 °C at 760 mmHg |
Flash Point: | 227.6 °C |
PSA: | 84.86000 |
LogP: | 2.39190 |
The Boc-D-Tyr-OMe, with the CAS registry number 76757-90-9, has the systematic name of methyl N-(tert-butoxycarbonyl)-D-tyrosinate. It should be stored at -15°C in the dry and sealed containers. And the molecular formula of the chemical is C15H21NO5.
The characteristics of Boc-D-Tyr-OMe are as followings: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 60.42; (6)ACD/BCF (pH 7.4): 60.13; (7)ACD/KOC (pH 5.5): 655.48; (8)ACD/KOC (pH 7.4): 652.35; (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: 1.523; (14)Molar Refractivity: 77.18 cm3; (15)Molar Volume: 252.4 cm3; (16)Polarizability: 30.59×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.169 g/cm3; (19)Flash Point: 227.6 °C; (20)Enthalpy of Vaporization: 73.93 kJ/mol; (21)Boiling Point: 452.7 °C at 760 mmHg; (22)Vapour Pressure: 8.19E-09 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)OC)Cc1ccc(O)cc1
(2)InChI: InChI=1/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(18)20-4)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,16,19)/t12-/m1/s1
(3)InChIKey: NQIFXJSLCUJHBB-GFCCVEGCBF