Basic information
- Name:
D-Tyrosine,O-(1,1-dimethylethyl)-
- Superlist Name:
- O-tert-Butyl-D-tyrosine
- CAS No.:
186698-58-8
- Molecular Structure:
- Formula:
- C13H19NO3
- Molecular Weight:
- 237.29
- Synonyms:
- H-D-Tyr(tBu)-OH;
- Density:
- 1.124 g/cm3
- Boiling Point:
- 374.5 °C at 760 mmHg
- Flash Point:
- 180.3 °C
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Specification
The D-Tyrosine,O-(1,1-dimethylethyl)-, with CAS registry number 186698-58-8, belongs to the following product categories: (1)Amino Acids; (2)Amino Acids and Derivatives; (3)Amino Acid Derivatives. It has the systematic name of (2R)-2-ammonio-3-(4-tert-butoxyphenyl)propanoate. This chemical should be stored at the temperature of 2-8°C.
Physical properties of D-Tyrosine,O-(1,1-dimethylethyl)-: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 46.53 Å2; (7)Index of Refraction: 1.538; (8)Molar Refractivity: 66.03 cm3; (9)Molar Volume: 211 cm3; (10)Polarizability: 26.17×10-24cm3; (11)Surface Tension: 43.8 dyne/cm; (12)Enthalpy of Vaporization: 65.61 kJ/mol; (13)Vapour Pressure: 2.83E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@H]([NH3+])Cc1ccc(OC(C)(C)C)cc1
(2)InChI: InChI=1/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m1/s1
(3)InChIKey: SNZIFNXFAFKRKT-LLVKDONJBJ
(4)Std. InChI: InChI=1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m1/s1
(5)Std. InChIKey: SNZIFNXFAFKRKT-LLVKDONJSA-N