The D-Tyrosine, N-acetyl-, with the CAS registry number 19764-32-0, is also known as N-Acetyl-D-tyrosine. Its EINECS registry number is 243-279-6. This chemical's molecular formula is C11H13NO4 and molecular weight is 223.23. What's more, its IUPAC name is called 2-Acetamido-3-(4-hydroxyphenyl)propanoic acid.
Physical properties about D-Tyrosine, N-acetyl- are: (1) ACD/LogP: 0.04; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 5; (8) #H bond donors: 3; (9) #Freely Rotating Bonds: 5; (10) Polar Surface Area: 55.84 Å2; (11) Index of Refraction: 1.577; (12) Molar Refractivity: 56.73 cm3; (13) Molar Volume: 171.1 cm3; (14) Surface Tension: 57 dyne/cm; (15) Density: 1.304 g/cm3; (16) Flash Point: 275.1 °C; (17) Enthalpy of Vaporization: 84.92 kJ/mol; (18) Boiling Point: 531.3 °C at 760 mmHg; (19) Vapour Pressure: 4.07E-12 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@H](NC(=O)C)Cc1ccc(O)cc1
(2) InChI: InChI=1/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m1/s1
(3) InChIKey: CAHKINHBCWCHCF-SNVBAGLBBH
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