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16091-04-6 | 2,7-Naphthalenedisulfonic acid, 3,6-bis[2-(4-bromo-2-sulfophenyl)diazenyl]-4,5-dihydroxy-
CAS No: 16091-04-6 Catalog No: AG001VGX MDL No:
Product Description
Catalog Number:
AG001VGX
Chemical Name:
2,7-Naphthalenedisulfonic acid, 3,6-bis[2-(4-bromo-2-sulfophenyl)diazenyl]-4,5-dihydroxy-
CAS Number:
16091-04-6
Molecular Formula:
C22H14Br2N4O14S4
Molecular Weight:
846.4330
IUPAC Name:
3,6-bis[(4-bromo-2-sulfophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C22H14Br2N4O14S4/c23-10-1-3-12(14(7-10)43(31,32)33)25-27-19-16(45(37,38)39)5-9-6-17(46(40,41)42)20(22(30)18(9)21(19)29)28-26-13-4-2-11(24)8-15(13)44(34,35)36/h1-8,29-30H,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)
InChI Key:
QJTJGSDSFNFCRT-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccc(cc1S(=O)(=O)O)Br)S(=O)(=O)O
EC Number:
240-252-0
Properties
Complexity:
1490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
845.774g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
846.416g/mol
Monoisotopic Mass:
843.776g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
341A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Non-peptidic anti-AIDS agents: inhibition of HIV-1 proteinase by disulfonates. | Biochemical and biophysical research communications 19921030 |
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