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3,5-Diiodothyropropionic Acid

CAT: 0572-TRC-D466068-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D466068-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1158-10-7
Synonyms
4-(4-Hydroxyphenoxy)-3,5-diiodobenzenepropanoic Acid; 3,5-Diiodothyropropionic Acid; Dipro
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
O=C(O)CCC1=CC(I)=C(OC2=CC=C(O)C=C2)C(I)=C1
Molecular Formula
C15H12I2O4
Molecular Weight
510.06
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3,5-Diiodothyropropionic acid

3,5-diiodothyropropionic acid is a monocarboxylic acid that is (4-hydroxy-3,5-diiodophenyl)propanoic acid in which the phenolic hydroxy group has been replaced by a 4-hydroxyphenyl group. An ionotropic analogue of L-thyroxine. It is a monocarboxylic acid, a member of phenols, an aromatic ether and an organoiodine compound.

CAS Number1158-10-7
PubChem CID160565
IUPAC Name3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
Molecular FormulaC15H12I2O4
Molecular Weight510.06
XLogP4.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity333
SMILES
C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CCC(=O)O)I
InChI
InChI=1S/C15H12I2O4/c16-12-7-9(1-6-14(19)20)8-13(17)15(12)21-11-4-2-10(18)3-5-11/h2-5,7-8,18H,1,6H2,(H,19,20)
InChIKey
WONYMNWUJVKVII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Diiodothyropropionic acid
CAS: 1158-10-7
CID: 160565
Formula: C15H12I2O4
MW: 510.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.06
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass509.88250
Monoisotopic Mass509.88250
Topological Polar Surface Area66.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity333
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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