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3’,5’-Diiodo-L-thyronine

CAT: 0572-TRC-D455156-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D455156-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4192-14-7
Synonyms
(S)-2-Amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)phenyl)propanoic Acid; 3',5'-Diiodothyronine; O-(4-Hydroxy-3,5-diiodophenyl)-L-tyrosine; 3-[p-(4-Hydroxy-3,5-diiodophenoxy)phenyl]-L-alanine
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
OC(C(I)=C1)=C(I)C=C1OC(C=C2)=CC=C2C[C@H](N)C(O)=O
Molecular Formula
C15H13I2NO4
Molecular Weight
525.08
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3',5'-Diiodothyronine

RN given refers to (DL)-isomer

CAS Number4192-14-7
PubChem CID6451797
IUPAC Name(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)phenyl]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
Complexity365
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N)OC2=CC(=C(C(=C2)I)O)I
InChI
InChI=1S/C15H13I2NO4/c16-11-6-10(7-12(17)14(11)19)22-9-3-1-8(2-4-9)5-13(18)15(20)21/h1-4,6-7,13,19H,5,18H2,(H,20,21)/t13-/m0/s1
InChIKey
LROTZSUGDZPWDN-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of 3',5'-Diiodothyronine
CAS: 4192-14-7
CID: 6451797
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
Complexity365
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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