L-Tyrosine,3,5-diiodo-, ethyl ester, hydrochloride (9CI) (74051-47-1)

The L-Tyrosine,3,5-diiodo-, ethyl ester, hydrochloride (9CI) is an organic compound with the formula C₁₁H₁₄ClI₂NO₃. The IUPAC name of this chemical is ethyl (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate hydrochloride. With the CAS registry number 74051-47-1, it is also named as 3,5-Diiodo-L-tyrosine ethyl ester hydrochloride.

Physical properties about L-Tyrosine,3,5-diiodo-, ethyl ester, hydrochloride (9CI) are: (1)ACD/LogP: 2.94; (2)ACD/LogD (pH 5.5): 1.73; (3)ACD/LogD (pH 7.4): 2.27; (4)ACD/BCF (pH 5.5): 6.29; (5)ACD/BCF (pH 7.4): 21.42; (6)ACD/KOC (pH 5.5): 59; (7)ACD/KOC (pH 7.4): 200.93; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 38.77 Å²; (12)Flash Point: 188.1 °C; (13)Enthalpy of Vaporization: 66.13 kJ/mol; (14)Boiling Point: 387.4 °C at 760 mmHg; (15)Vapour Pressure: 1.49E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(cc(I)c1O)C[C@@H](C(=O)OCC)N.Cl
(2)InChI: InChI=1/C11H13I2NO3.ClH/c1-2-17-11(16)9(14)5-6-3-7(12)10(15)8(13)4-6;/h3-4,9,15H,2,5,14H2,1H3;1H/t9-;/m0./s1
(3)InChIKey: ILBBOCVXEPIPBR-FVGYRXGTBG ; (4)Std. InChI: InChI=1S/C11H13I2NO3.ClH/c1-2-17-11(16)9(14)5-6-3-7(12)10(15)8(13)4-6;/h3-4,9,15H,2,5,14H2,1H3;1H/t9-;/m0./s1
(5)Std. InChIKey: ILBBOCVXEPIPBR-FVGYRXGTSA-N