Home Sulfos L-Tyrosine,O-[3,5-diiodo-4-(sulfooxy)phenyl]-3,5-diiodo-

L-Tyrosine,O-[3,5-diiodo-4-(sulfooxy)phenyl]-3,5-diiodo-

CAS No.:
77074-49-8
Catalog Number:
AG008O0R
Molecular Formula:
C15H11I4NO7S
Molecular Weight:
856.9332
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Product Description
Catalog Number:
AG008O0R
Chemical Name:
L-Tyrosine,O-[3,5-diiodo-4-(sulfooxy)phenyl]-3,5-diiodo-
CAS Number:
77074-49-8
Molecular Formula:
C15H11I4NO7S
Molecular Weight:
856.9332
MDL Number:
MFCD00209882
IUPAC Name:
(2S)-2-amino-3-[4-(3,5-diiodo-4-sulfooxyphenoxy)-3,5-diiodophenyl]propanoic acid
InChI:
InChI=1S/C15H11I4NO7S/c16-8-1-6(3-12(20)15(21)22)2-9(17)13(8)26-7-4-10(18)14(11(19)5-7)27-28(23,24)25/h1-2,4-5,12H,3,20H2,(H,21,22)(H,23,24,25)/t12-/m0/s1
InChI Key:
QYXIJUZWSSQICT-LBPRGKRZSA-N
SMILES:
N[C@H](C(=O)O)Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)OS(=O)(=O)O
Properties
Complexity:
625  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
856.644g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
856.931g/mol
Monoisotopic Mass:
856.644g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
High-normal thyroid function and risk of recurrence of atrial fibrillation after catheter ablation. Circulation journal : official journal of the Japanese Circulation Society 20100701
Organic anion transporter 1B1: an important factor in hepatic thyroid hormone and estrogen transport and metabolism. Endocrinology 20080901
Increased thyroxine sulfate levels in critically ill patients as a result of a decreased hepatic type I deiodinase activity. The Journal of clinical endocrinology and metabolism 20051201
Identification of monocarboxylate transporter 8 as a specific thyroid hormone transporter. The Journal of biological chemistry 20031010
Properties