200,000+ products from a single source!

sales@angenechem.com

Home > Amines > 28706-19-6

28706-19-6

28706-19-6 | 1,5-Naphthalenedisulfonic acid, 3-[2-[4-[[[[2-methoxy-4-[2-(3-sulfophenyl)diazenyl]phenyl]amino]carbonyl]amino]-2-methylphenyl]diazenyl]-, sodium salt (1:3)

CAS No: 28706-19-6 Catalog No: AG002W6B MDL No:

Product Description

Catalog Number:
AG002W6B
Chemical Name:
1,5-Naphthalenedisulfonic acid, 3-[2-[4-[[[[2-methoxy-4-[2-(3-sulfophenyl)diazenyl]phenyl]amino]carbonyl]amino]-2-methylphenyl]diazenyl]-, sodium salt (1:3)
CAS Number:
28706-19-6
Molecular Formula:
C31H24N6Na3O11S3+
Molecular Weight:
821.7202
IUPAC Name:
trisodium;3-[[4-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate
InChI:
InChI=1S/C31H26N6O11S3.3Na/c1-18-13-19(9-11-26(18)37-36-22-15-25-24(30(17-22)51(45,46)47)7-4-8-29(25)50(42,43)44)32-31(38)33-27-12-10-21(16-28(27)48-2)35-34-20-5-3-6-23(14-20)49(39,40)41;;;/h3-17H,1-2H3,(H2,32,33,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3
InChI Key:
ANYFCNHZKDSDER-UHFFFAOYSA-K
SMILES:
COc1cc(N=Nc2cccc(c2)S(=O)(=O)O)ccc1NC(=O)Nc1ccc(c(c1)C)N=Nc1cc2c(c(c1)S(=O)(=O)[O-])cccc2S(=O)(=O)[O-].[Na+].[Na+].[Na+]
EC Number:
249-167-3

Properties

Complexity:
1560  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
820.028g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
820.705g/mol
Monoisotopic Mass:
820.028g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
297A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Related Products

© 2019 Angene International Limited. All rights Reserved.