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3’-Iodo-L-thyronine

CAT: 0572-TRC-I721505-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I721505-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4732-82-5
Synonyms
3-[p-(4-Hydroxy-3-iodophenoxy)phenyl]-alanine; 3'-Iodothyronine
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
IC1=C(O)C=CC(OC2=CC=C(C[C@H](N)C(O)=O)C=C2)=C1
Molecular Formula
C15H14INO4
Molecular Weight
399.18
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3'-Iodothyronine

RN given refers to (L-Tyr)-isomer

CAS Number4732-82-5
PubChem CID122056
IUPAC Name(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)phenyl]propanoic acid
Molecular FormulaC15H14INO4
Molecular Weight399.18
XLogP0.4
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity347
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N)OC2=CC(=C(C=C2)O)I
InChI
InChI=1S/C15H14INO4/c16-12-8-11(5-6-14(12)18)21-10-3-1-9(2-4-10)7-13(17)15(19)20/h1-6,8,13,18H,7,17H2,(H,19,20)/t13-/m0/s1
InChIKey
RUIUIJSMLKJUDC-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of 3'-Iodothyronine
CAS: 4732-82-5
CID: 122056
Formula: C15H14INO4
MW: 399.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.18
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass398.99676
Monoisotopic Mass398.99676
Topological Polar Surface Area92.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity347
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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