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22189-29-3 | D-Tyrosine,O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-a-methyl-, disodium salt, hexahydrate (9CI)
CAS No: 22189-29-3 Catalog No: AG007P8A MDL No:
Product Description
Catalog Number:
AG007P8A
Chemical Name:
D-Tyrosine,O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-a-methyl-, disodium salt, hexahydrate (9CI)
CAS Number:
22189-29-3
Molecular Formula:
C16H12I3NNa2O4
Molecular Weight:
708.9637
IUPAC Name:
disodium;2-amino-3-[3,5-diiodo-4-(3-iodo-4-oxidophenoxy)phenyl]-2-methylpropanoate
InChI:
InChI=1S/C16H14I3NO4.2Na/c1-16(20,15(22)23)7-8-4-11(18)14(12(19)5-8)24-9-2-3-13(21)10(17)6-9;;/h2-6,21H,7,20H2,1H3,(H,22,23);;/q;2*+1/p-2
InChI Key:
AXIOAEOUOTYZJF-UHFFFAOYSA-L
SMILES:
[O-]C(=O)C(Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)[O-])(N)C.[Na+].[Na+]
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
708.77g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
708.968g/mol
Monoisotopic Mass:
708.77g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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