InChI: | InChI=1/C11H15NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3-4,10,13H,5,12H2,1-2H3,(H,14,15) |
Specification: |
The CAS register number of 2,6-Dimethyl-L-tyrosine is 123715-02-6. It also can be called as L-Tyrosine,2,6-dimethyl- and the IUPAC name about this chemical is (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid. The molecular formula about this chemical is C11H15NO3 and the molecular weight is 209.24. It belongs to the following product categories, such as Pharmacetical; Benzene series; API intermediates; Non-natural amino acids and so on.
Physical properties about 2,6-Dimethyl-L-tyrosine are: (1)ACD/LogP: 1.30; (2)ACD/LogD (pH 5.5): -1.2; (3)ACD/LogD (pH 7.4): -1.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.77Å2; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 57.02 cm3; (14)Molar Volume: 168.4 cm3; (15)Polarizability: 22.6x10-24cm3; (16)Surface Tension: 56.7 dyne/cm; (17)Enthalpy of Vaporization: 70.16 kJ/mol; (18)Boiling Point: 412.8 °C at 760 mmHg; (19)Vapour Pressure: 1.49E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)Cc1c(cc(O)cc1C)C
(2)InChI: InChI=1/C11H15NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3-4,10,13H,5,12H2,1-2H3,(H,14,15)/t10-/m0/s1
(3)InChIKey: LSNDLIKCFHLFKO-JTQLQIEIBF
(4)Std. InChI: InChI=1S/C11H15NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3-4,10,13H,5,12H2,1-2H3,(H,14,15)/t10-/m0/s1
(5)Std. InChIKey: LSNDLIKCFHLFKO-JTQLQIEISA-N
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