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L-Thyroxine

CAT: 0931-T0864-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T0864-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51-48-9
Target
Endogenous Metabolite, Thyroid hormone receptor (THR)
Related Pathways
Metabolism, Endocrinology/Hormones
Purity
0.99562
Bioactivity
L-Thyroxine (NSC 36397) is the major hormone derived from the thyroid gland. L-Thyroxine (NSC 36397) is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. L-Thyroxine (NSC 36397) is released from thyroglobulin by proteolysis and secreted into the blood. L-Thyroxine (NSC 36397) is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism.
Smiles
N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
Molecular Formula
C15H11I4NO4
Molecular Weight
776.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Thyroxine

L-thyroxine is the L-enantiomer of thyroxine. It has a role as an antithyroid drug, a thyroid hormone, a mouse metabolite and a human metabolite. It is an iodophenol, a thyroxine, a 2-halophenol, a non-proteinogenic L-alpha-amino acid and a L-phenylalanine derivative. It is a conjugate acid of a L-thyroxine(1-). It is an enantiomer of a D-thyroxine. It is a tautomer of a L-thyroxine zwitterion.

CAS Number51-48-9
PubChem CID5819
IUPAC Name(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
Molecular FormulaC15H11I4NO4
Molecular Weight776.87
XLogP2.4
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity420
SMILES
C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N
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)/t12-/m0/s1
InChIKey
XUIIKFGFIJCVMT-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Thyroxine
CAS: 51-48-9
CID: 5819
Formula: C15H11I4NO4
MW: 776.87
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight776.87
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass776.6867
Monoisotopic Mass776.6867
Topological Polar Surface Area92.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity420
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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