3,3',5-Triiodothyropropionic Acid

CAT: 0024-sc-216566CSize: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-216566CSize:25 mg

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CAS Number

51-26-3

Chemical Information

3,3',5-Triiodothyropropionic acid

Thyropropic acid is an aromatic ether.

CAS Number	51-26-3
PubChem CID	5804
IUPAC Name	3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
Molecular Formula	C15H11I3O4
Molecular Weight	635.96
XLogP	4.8
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	370

SMILES

C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CCC(=O)O)I)I)O

InChI

InChI=1S/C15H11I3O4/c16-10-7-9(2-3-13(10)19)22-15-11(17)5-8(6-12(15)18)1-4-14(20)21/h2-3,5-7,19H,1,4H2,(H,20,21)

InChIKey

VRORTNGXAKZJML-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51-26-3

CID: 5804

Formula: C15H11I3O4

MW: 635.96

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	635.96
XLogP3	4.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	635.7792
Monoisotopic Mass	635.7792
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	370
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-231969A	3,3',5,5'-Tetraiodothyroacetic acid
sc-231969D	3,3',5,5'-Tetraiodothyroacetic acid
sc-231969B	3,3',5,5'-Tetraiodothyroacetic acid
sc-231969C	3,3',5,5'-Tetraiodothyroacetic acid
sc-231969	3,3',5,5'-Tetraiodothyroacetic acid
sc-226208	3,3',5-Triiodothyroacetic acid
sc-266982	3,5,5-Trimethylhexanoic acid
sc-473705	3,5,3',5'-Tetraiodo Thyromandelic Acid
sc-472864	3,5,3',5'-Tetraiodo Thyrolactic Acid
sc-232098	3,5-Difluorobenzoic acid

Catalog	Name
MBS6058767-01	3,3',5-Triiodothyropropionic Acid (4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodo-benzenepropanoic Acid, 4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodo-hydrocinnamic Acid, Atralose, Birodan, Thyropropic Acid, Triopron)
T8425-20	3,3’,5-Triiodothyropropionic Acid (4- (4-Hydroxy-3-iodophenoxy) -3,5-diiodo-benzenepropanoic Acid, _x000B_4- (4-Hydroxy-3-iodophenoxy) -3,5-diiodo-hydrocinnamic Acid, Atralose, Birodan, Thyropropic Acid, Triopron)
FT66242-01	3,3',5,5'-Tetraiodothyroformic acid
FT28150-01	3,5,3',5'-Tetraiodothyroacetic acid
OR1028209-01	3,3',5-TrIIodothyroacetic Acid
34825450-1g	3,3',5-Triiodothyroacetic acid, free acid
FT35076-01	3,5,3',5' -Tetraiodo thyromandelic acid
159102	(1α,3α,5α) -3,5-Diaminocyclohexanecarboxylic Acid
422711-01	3- (3,5-Difluorophenyl) -5-trifluoromethylbenzoic acid
422710-01	3- (3,5-Difluorophenyl) -5-methoxybenzoic acid