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Chemical structure of 3,5-Diiodo-L-thyronine

GC49427

3,5-Diiodo-L-thyronine

Also known as (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid

3,5-Diiodo-L-thyronine is an endogenous metabolite

ChemicalCAS1041-01-6MW525.1FormulaC15H13I2NO4
CAS number
1041-01-6
Molecular weight
525.1
Formula
C15H13I2NO4
Solubility
22·22 mg/mL in Ethanol(ultrasonic and adjust pH to 2 with 1M HCl)
InChIKey
ZHSOTLOTTDYIIK-ZDUSSCGKSA-N
Catalogue number
GC49427
Brand
GLPBIO
Computed properties PubChem CID 92859 · XLogP 1.1 · TPSA 92.8 Ų · H-bond donors 3
XLogP
1.1
TPSA
92.8 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22

SMILES C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I

Computed descriptors from PubChem (CID 92859), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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