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3,3'-Diiodo-L-thyronine

CAT: 0931-T10103-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T10103-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4604-41-5
Target
Endogenous Metabolite, COX
Related Pathways
Immunology/Inflammation, Neuroscience, Metabolism
Purity
0.9673
Bioactivity
3,3'-Diiodo-L-thyronine (3,3'-T2) is an endogenous thyroid hormone metabolite capable of enhancing mitochondrial COX activity in rat hepatocytes.
Smiles
O(C1=C(I)C=C(C[C@@H](C(O)=O)N)C=C1)C2=CC(I)=C(O)C=C2
Molecular Formula
C15H13I2NO4
Molecular Weight
525.08
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,3'-Diiodo-L-thyronine

3,3'-diiodo-L-thyronine is a 3,3'-diiodothyronine. It has a role as a human metabolite. It is a tautomer of a 3,3'-diiodo-L-thyronine zwitterion.

CAS Number4604-41-5
PubChem CID107564
IUPAC Name(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid
Molecular FormulaC15H13I2NO4
Molecular Weight525.08
XLogP1.1
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity385
SMILES
C1=CC(=C(C=C1C[C@@H](C(=O)O)N)I)OC2=CC(=C(C=C2)O)I
InChI
InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1
InChIKey
CPCJBZABTUOGNM-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of 3,3'-Diiodo-L-thyronine
CAS: 4604-41-5
CID: 107564
Formula: C15H13I2NO4
MW: 525.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.08
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass524.89340
Monoisotopic Mass524.89340
Topological Polar Surface Area92.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity385
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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