L-Thyroxine

CAT: 0063-25797978Size: 1 gDry Ice: NoHazardous: No

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CAT#:0063-25797978Size:1 g

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CAS Number

51-48-9

Chemical Information

Thyroxine

L-thyroxine is the L-enantiomer of thyroxine. It has a role as an antithyroid drug, a thyroid hormone, a mouse metabolite and a human metabolite. It is an iodophenol, a thyroxine, a 2-halophenol, a non-proteinogenic L-alpha-amino acid and a L-phenylalanine derivative. It is a conjugate acid of a L-thyroxine(1-). It is an enantiomer of a D-thyroxine. It is a tautomer of a L-thyroxine zwitterion.

CAS Number	51-48-9
PubChem CID	5819
IUPAC Name	(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
Molecular Formula	C15H11I4NO4
Molecular Weight	776.87
XLogP	2.4
Topological Polar Surface Area	92.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	420

SMILES

C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N

InChI

InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1

InChIKey

XUIIKFGFIJCVMT-LBPRGKRZSA-N

Chemical Structure

2D Structure

CAS: 51-48-9

CID: 5819

Formula: C15H11I4NO4

MW: 776.87

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	776.87
XLogP3	2.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	776.6867
Monoisotopic Mass	776.6867
Topological Polar Surface Area	92.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	420
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
T0864-01	L-Thyroxine
239444-01	L-Thyroxine 98+%
A11669-200	L-Thyroxine 200mg
BUP18449-01	L-Thyroxine sodium
C08706-25mg	L-Thyroxine (Levothyroxine)
HY-18341S2	L-Thyroxine-13C6
sc-326468	Boc-L-thyroxine
A11669-1000	L-Thyroxine 1g
SMAG3196-01	L-Thyroxine (T4)
GTR19346510-01	Biotin- (L-Thyroxine)

L-Thyroxine

Chemical Information

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