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185038-82-8 | L-Tyrosine, O-[2,5-diiodo-4-(sulfooxy)phenyl]-3-iodo-
CAS No: 185038-82-8 Catalog No: AG007RRH MDL No:
Product Description
Catalog Number:
AG007RRH
Chemical Name:
L-Tyrosine, O-[2,5-diiodo-4-(sulfooxy)phenyl]-3-iodo-
CAS Number:
185038-82-8
Molecular Formula:
C15H12I3NO7S
Molecular Weight:
731.0367
IUPAC Name:
(2S)-2-amino-3-[4-(2,5-diiodo-4-sulfooxyphenoxy)-3-iodophenyl]propanoic acid
InChI:
InChI=1S/C15H12I3NO7S/c16-8-3-7(4-11(19)15(20)21)1-2-12(8)25-13-5-10(18)14(6-9(13)17)26-27(22,23)24/h1-3,5-6,11H,4,19H2,(H,20,21)(H,22,23,24)/t11-/m0/s1
InChI Key:
XICSABSGZUHGRY-NSHDSACASA-N
SMILES:
N[C@H](C(=O)O)Cc1ccc(c(c1)I)Oc1cc(I)c(cc1I)OS(=O)(=O)O
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
730.747g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
731.034g/mol
Monoisotopic Mass:
730.747g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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