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Chemical structure of L-Thyroxine-13C9,15N

GC44088

L-Thyroxine-13C9,15N

Also known as (2S)-2-(15N)azanyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl](1,2,3-13C3)propanoic acid

L-Thyroxine-13C9,15N is intended for use as an internal standard for the quantification of L-thyroxine by GC- or LC-MS

ChemicalCAS1431868-11-9MW786.8FormulaC6[13C]9H11I4[15N]O4
CAS number
1431868-11-9
Molecular weight
786.8
Formula
C6[13C]9H11I4[15N]O4
Solubility
DMF： 0·14 mg/ml,DMSO： 2·5 mg/ml,DMSO：PBS (pH 7·2) (1：1)： 0·50 mg/ml
InChIKey
XUIIKFGFIJCVMT-LPIUGHGLSA-N
Catalogue number
GC44088
Brand
GLPBIO
Computed properties PubChem CID 71574389 · XLogP 2.4 · TPSA 92.8 Ų · H-bond donors 3
XLogP
2.4
TPSA
92.8 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
24

SMILES C1=C(C=C(C(=C1I)O)I)O[13C]2=[13C]([13CH]=[13C]([13CH]=[13C]2I)[13CH2][13C@@H]([13C](=O)O)[15NH2])I

Computed descriptors from PubChem (CID 71574389), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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