Basic information
- Name:
D-Tyrosine,N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-
- Superlist Name:
- Boc-O-benzyl-D-tyrosine
- CAS No.:
63769-58-4
- Molecular Structure:
![Molecular Structure of 63769-58-4 (D-Tyrosine,N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-)](http://www.lookchem.com/300w/2010/0623/63769-58-4.jpg)
- Formula:
- C21H25NO5
- Molecular Weight:
- 371.43
- Synonyms:
- N-tert-Butoxycarbonyl-O-benzyl-D-tyrosine;NSC 334366;Boc-D-Tyr(Bzl)-OH;
- Density:
- 1.185g/cm3
- Boiling Point:
- 552.4 °C at 760 mmHg
- Flash Point:
- 287.9 °C
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Specification
The D-Tyrosine,N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-, with CAS registry number 63769-58-4, belongs to the following product categories: (1)Amino Acid Derivatives; (2)Amino Acids. It has the systematic name of O-benzyl-N-(tert-butoxycarbonyl)tyrosine. And the chemical formula of this chemical is C21H25NO5.
Physical properties of D-Tyrosine,N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-: (1)ACD/LogP: 4.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 15.74; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 66.78; (8)ACD/KOC (pH 7.4): 2.07; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 101.62 cm3; (15)Molar Volume: 313.3 cm3; (16)Polarizability: 40.28×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Enthalpy of Vaporization: 87.66 kJ/mol; (19)Vapour Pressure: 4.87E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC(C(=O)O)Cc2ccc(OCc1ccccc1)cc2
(2)InChI: InChI=1/C21H25NO5/c1-21(2,3)27-20(25)22-18(19(23)24)13-15-9-11-17(12-10-15)26-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24)
(3)InChIKey: ZAVSPTOJKOFMTA-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C21H25NO5/c1-21(2,3)27-20(25)22-18(19(23)24)13-15-9-11-17(12-10-15)26-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24)
(5)Std. InChIKey: ZAVSPTOJKOFMTA-UHFFFAOYSA-N