(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid,


Chemical Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid,
CAS Number: 6893-02-3
Product Number: AG0032GT(AGN-PC-0WA1WH)
Synonyms:
MDL No:
Molecular Formula: C15H12I3NO4
Molecular Weight: 650.9735

Identification/Properties


Properties
MP:
234-238 °C(lit.)
BP:
563.527 °C at 760 mmHg
Storage:
Room Temperature;Light sensitive;Inert atmosphere;
Form:
Solid
Stability:
Light Sensitive
Computed Properties
Molecular Weight:
650.977g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
650.79g/mol
Monoisotopic Mass:
650.79g/mol
Topological Polar Surface Area:
92.8A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
402
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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