Lignin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 436
Total Number of Articles : 638
PubChem 175586
Molecular Formula

C18H13N3Na2O8S2

SMILES

CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=CC=CC=C3)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H15N3O8S2.2Na/c1-10(22)19-13-7-8-14(30(24,25)26)12-9-15(31(27,28)29)17(18(23)16(12)13)21-20-11-5-3-2-4-6-11;;/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2

synonyms
  • LIGNIN
  • 94113-57-2
  • Disodium 4-(acetylamino)-5-hydroxy-6-(phenylazo)naphthalene-1,7-disulphonate
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Properties
Property Value
MW 509.4 g/mol
HBD 2
HBA 10
Rotatable Bond Count 3
Exact Mass 508.99394529 g/mol
Monoisotopic Mass 508.99394529 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 3
Complexity 863
xlogp None
Topological Polar Surface Area 205