3,5-Diiodo-L-thyronine

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Catalog Number
ACM1041016
Product Name
3,5-Diiodo-L-thyronine
Structure
Structure
CAS
1041-01-6
Category
Main Products
Synonyms
Diiodothyronine
IUPAC Name
(2S)-2-Amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
Molecular Weight
525.08
Molecular Formula
C15H13I2NO4
Canonical SMILES
C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CC(C(=O)O)N)I
InChI
InChI=1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)/t13-/m0/s1
InChI Key
ZHSOTLOTTDYIIK-ZDUSSCGKSA-N
Boiling Point
559.4±50.0 °C
Melting Point
255-260 °C
Flash Point
292.1 °C
Density
2.095±0.06 g/cm³
Appearance
Solid
Storage
Keep in dark place, sealed in dry, store in freezer, under -20 °C
Complexity
365
EC Number
213-867-7
Exact Mass
524.89340
Hazard Statements
Xn
Isomeric SMILES
C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I
Monoisotopic Mass
524.89340
pKa
2.15±0.30(Predicted)
Refractive Index
1.726
Safety Description
24/25
Topological Polar Surface Area
92.8 Ų
WGK Germany
3
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