2-NAPHTHALENESULFONIC ACID, 5,5-[[1,1-BIPHENYL]-4,4-DIYLBIS(2,1-DIAZENEDIYL)]BIS[6-AMINO-4-HYDROXY-, SODIUM SALT (1:2)

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key SDRDYCFIJRWSKZ-ODSRGEQOSA-N
Smiles [Na+].[Na+].[O-][S](=O)(=O)C1=C2C=CC(=N)C(=C2C(=O)C=C1)NNc3ccc(cc3)c4ccc(NNC5=C6C(=O)C=CC(=C6C=CC5=N)[S]([O-])(=O)=O)cc4
InChI
InChI=1S/C32H24N6O8S2/c33-23-11-9-21-27(47(41,42)43)15-13-25(39)29(21)31(23)37-35-19-5-1-17(2-6-19)18-3-7-20(8-4-18)36-38-32-24(34)12-10-22-28(48(44,45)46)16-14-26(40)30(22)32/h1-16,29-30,33-36H,(H,41,42,43)(H,44,45,46)/b33-23?,34-24?,37-31-,38-32-

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H24N6O8S2
Molecular Weight 684.11
AlogP 3.86
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 7.0
Polar Surface Area 239.36
Heavy Atoms 48.0

Cross References

Resources Reference
CAS NUMBER 2586-60-9
NORMAN SUSDAT
CONTENTS