Home >> Chemicals Listing >> hot product list by L  

L-Tyrosine,O-(4-hydroxy-3,5-diiodophenyl)-3-iodo- (5817-39-0)

Identification
Name:L-Tyrosine,O-(4-hydroxy-3,5-diiodophenyl)-3-iodo-
Synonyms:Alanine,3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]-, L- (8CI);3,3',5'-L-Triiodothyronine;3,3',5'-T3;3,3',5'-Triiodo-L-thyronine;3,3',5'-Triiodothyronine;3',5',3-Triiodothyronine;Isoliothyronine;ReverseL-triiodothyronine;Reverse T3;Reverse triiodothyronine;rT3;
CAS:5817-39-0
EINECS: 229-999-3
Molecular Formula: C15H12I3NO4
Molecular Weight: 650.97
InChI: InChI=1/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1
Molecular Structure: (C15H12I3NO4) Alanine,3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]-, L- (8CI);3,3',5'-L-Triiodothyronine;3,3',...
Properties
Density:2.387 g/cm3
Refractive index:1.763
Appearance:powder
Specification:

The L-Tyrosine,O-(4-hydroxy-3,5-diiodophenyl)-3-iodo- is an organic compound with the formula C15H12I3NO4. The IUPAC name of this chemical is (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid. With the CAS registry number 5817-39-0, it is also named as 4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenylalanine. The product's categories are Amino Acids & Derivatives; Labeling and Diagnostics Reagents; Intermediates & Fine Chemicals; Pharmaceuticals; Isotope Labeled Compounds. Besides, it should be stored at temperature of 2-8 °C.

Physical properties about L-Tyrosine,O-(4-hydroxy-3,5-diiodophenyl)-3-iodo- are: (1)ACD/LogP: 5.39; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 22.73; (6)ACD/BCF (pH 7.4): 8.84; (7)ACD/KOC (pH 5.5): 63.02; (8)ACD/KOC (pH 7.4): 24.51; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 48Å2; (13)Index of Refraction: 1.763; (14)Molar Refractivity: 112.53 cm3; (15)Molar Volume: 272.6 cm3; (16)Polarizability: 44.61×10-24cm3; (17)Surface Tension: 75.9 dyne/cm; (18)Density: 2.387 g/cm3; (19)Flash Point: 277.1 °C; (20)Enthalpy of Vaporization: 85.35 kJ/mol; (21)Boiling Point: 534.6 °C at 760 mmHg; (22)Vapour Pressure: 2.93E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic2cc(Oc1ccc(cc1I)CC(C(=O)O)N)cc(I)c2O
(2)InChI:  InChI=1/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)
(3)InChIKey: HZCBWYNLGPIQRK-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)
(5)Std. InChIKey: HZCBWYNLGPIQRK-UHFFFAOYSA-N

Usage:Of interest for the early detection and treatment of congenital or drug-induced hypothyroidism in the developing human fetus
Safety Data
Hazard Symbols Xn: Harmful
 

Other Product