Evans Blue

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 290
Total Number of Articles : 341
PubChem 9409
Molecular Formula

C34H24N6Na4O14S4

SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)C)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

synonyms
  • evans blue
  • 314-13-6
  • Direct Blue 53
Click to show/hide the synonyms
Properties
Property Value
MW 960.8 g/mol
HBD 4
HBA 20
Rotatable Bond Count 5
Exact Mass 959.9824113 g/mol
Monoisotopic Mass 959.9824113 g/mol
Heavy Atom Count 62
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 5
Complexity 1790
xlogp None
Topological Polar Surface Area 404