DL-Thyroxine supplier | CasNO.300-30-1

Name
DL-THYROXINE
EINECS 206-088-9
CAS No. 300-30-1
Article Data27
CAS DataBase
Density 2.635 g/cm³
Solubility
Melting Point 211 °C (decomp)
Formula C₁₅H₁₁I₄NO₄
Boiling Point 576.306 °C at 760 mmHg
Molecular Weight 776.875
Flash Point 302.339 °C
Transport Information
Appearance
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms DL-Tyrosine,O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-;Thyroxine, DL- (8CI);O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-DL-tyrosine;
PSA 92.78000
LogP 5.25760

DL-Thyroxine Specification

The Tyrosine,O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, with the CAS registry number 300-30-1, is also known as DL-Thyroxine. It belongs to the product categories of Amino Acids; Biochemistry; Biological-modified Amino Acids. Its EINECS registry number is 206-088-9. This chemical's molecular formula is C₁₅H₁₁I₄NO₄ and molecular weight is 776.87002. Its IUPAC name is called 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid.

Physical properties of Tyrosine,O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-: (1)ACD/LogP: 4.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.206; (4)ACD/LogD (pH 7.4): 1.678; (5)ACD/BCF (pH 5.5): 6.982; (6)ACD/BCF (pH 7.4): 2.069; (7)ACD/KOC (pH 5.5): 27.027; (8)ACD/KOC (pH 7.4): 8.01; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.795; (13)Molar Refractivity: 125.446 cm³; (14)Molar Volume: 294.745 cm³; (15)Surface Tension: 79.617 dyne/cm; (16)Density: 2.636 g/cm³; (17)Flash Point: 302.339 °C; (18)Enthalpy of Vaporization: 90.781 kJ/mol; (19)Boiling Point: 576.306 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N
(2)InChI: InChI=1S/C15H11I4NO4/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)
(3)InChIKey: XUIIKFGFIJCVMT-UHFFFAOYSA-N

Product Name

DL-THYROXINE

DL-Thyroxine Specification

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