Coomassie blue

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 114
Total Number of Articles : 122
PubChem 19732
Molecular Formula

C26H19N3O10S3

SMILES

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5O)S(=O)(=O)O)C=CC=C3S(=O)(=O)O

InChI

InChI=1S/C26H19N3O10S3/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-24(26)42(37,38)39/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39)

synonyms
  • Coomassie Blue
  • 5-[(4-anilino-5-sulphonaphthyl)azo]-4-hydroxynaphthalene-2,7-disulphonic acid
  • 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-((4-(phenylamino)-5-sulfo-1-naphthalenyl)azo)-
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Properties
Property Value
MW 629.6 g/mol
HBD 5
HBA 13
Rotatable Bond Count 7
Exact Mass 629.02325733 g/mol
Monoisotopic Mass 629.02325733 g/mol
Heavy Atom Count 42
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 1300
xlogp 3.6
Topological Polar Surface Area 245