L-Tyrosine,O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, monosodium salt, hydrate (9CI) (25416-65-3)

The L-Tyrosine,O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, monosodium salt, hydrate (9CI) is an organic compound with the formula C₁₅H₁₀I₄NNaO₄. The IUPAC name of this chemical is sodium (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate hydrate. With the CAS registry number 25416-65-3, it is also named as Monosodium L-thyroxine hydrate. The product's categories are . Besides, it is a gray to yellow powder, which should be stored at 0-5°C . When you are using it, avoid contact with skin and eyes.

Physical properties about L-Tyrosine,O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, monosodium salt, hydrate (9CI) are: (1)ACD/LogP: 5.93; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 57.67; (6)ACD/BCF (pH 7.4): 18.3; (7)ACD/KOC (pH 5.5): 122.37; (8)ACD/KOC (pH 7.4): 38.83; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 59Ų; (13)Flash Point: 302.3 °C; (14)Enthalpy of Vaporization: 90.78 kJ/mol; (15)Boiling Point: 576.3 °C at 760 mmHg; (16)Vapour Pressure: 4.02E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]C(=O)[C@@H](N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2
(2)InChI: InChI=1/C15H11I4NO4.Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;/h1-2,4-5,12,21H,3,20H2,(H,22,23);/q;+1/p-1/t12-;/m0./s1
(3)InChIKey: YDTFRJLNMPSCFM-SJPAKONQBY
(4)Std. InChI: InChI=1S/C15H11I4NO4.Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;/h1-2,4-5,12,21H,3,20H2,(H,22,23);/q;+1/p-1/t12-;/m0./s1
(5)Std. InChIKey: YDTFRJLNMPSCFM-YDALLXLXSA-M