Gallium Ga 68 alizarin red S

trisodium;gallium-68(3+);tris(4-hydroxy-3-oxido-9,10-dioxoanthracene-2-sulfonate)

Also Known As: Gallium Ga 68 alizarin red S|Gallium Ga 68 sodium alizarinesulfonate|Gallate(3-)-68Ga, tris(9,10-dihydro-3,4-dihydroxy-9,10-dioxo-2-anthracenesulfonato(2-)-O4,O10)-, trisodium|Trisodium; Gallium(+3) Cation; 4-hydroxy-3-oxido-9,10-dioxo-anthracene-2-sulfonate|trisodium; gallium(+3) cation; 4-hydroxy-3-oxido-9,10-dioxoanthracene-2-sulfonate|trisodium; gallium-68(3+); 4-hydroxy-3-oxido-9,10-dioxoanthracene-2-sulfonate

Molecular Formula	C42H18GaNa3O21S3
Molecular Weight	1090.8475 g/mol
LogP	-8.9329
Topological Polar Surface Area	429.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	21
Rotatable Bonds	0
Exact Mass	1090.8475
Monoisotopic Mass	1090.8475
Heavy Atoms	70
Complexity	579.0

Chemical Identifiers

CAS Number	76082-89-8
SMILES	C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)[O-])S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)[O-])S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[68Ga+3]
InChIKey	AKCUIKLSLXNBER-QDLNGRDXSA-H