L-Thyronine

CAT: 0926-FT36781-02Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-FT36781-02Size:0.1 g

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CAS Number

1596-67-4

MDL Number

MFCD00063070

Smiles

C1=CC (=CC=C1C[C@@H] (C (=O) O) N) OC2=CC=C (C=C2) O

Molecular Formula

C15H15NO4

Molecular Weight

273.28 g/mol

Controlled

Chemical Information

L-Thyronine

L-thyronine is a thyronine. It is a tautomer of a L-thyronine zwitterion.

CAS Number	1596-67-4
PubChem CID	5461103
IUPAC Name	(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid
Molecular Formula	C15H15NO4
Molecular Weight	273.28
XLogP	-0.7
Topological Polar Surface Area	92.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	307

SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)N)OC2=CC=C(C=C2)O

InChI

InChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)/t14-/m0/s1

InChIKey

KKCIOUWDFWQUBT-AWEZNQCLSA-N

Chemical Structure

2D Structure

CAS: 1596-67-4

CID: 5461103

Formula: C15H15NO4

MW: 273.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.28
XLogP3	-0.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	273.10010796
Monoisotopic Mass	273.10010796
Topological Polar Surface Area	92.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	307
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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