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1738-02-9 | 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3,6-bis[2-(2-sulfophenyl)diazenyl]-
CAS No: 1738-02-9 Catalog No: AG001Z7D MDL No:
Product Description
Catalog Number:
AG001Z7D
Chemical Name:
2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3,6-bis[2-(2-sulfophenyl)diazenyl]-
CAS Number:
1738-02-9
Molecular Formula:
C22H16N4O14S4
Molecular Weight:
688.6408
IUPAC Name:
4,5-dihydroxy-3,6-bis[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C22H16N4O14S4/c27-21-18-11(9-16(43(35,36)37)19(21)25-23-12-5-1-3-7-14(12)41(29,30)31)10-17(44(38,39)40)20(22(18)28)26-24-13-6-2-4-8-15(13)42(32,33)34/h1-10,27-28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)
InChI Key:
ILROUJLNAZOVJV-UHFFFAOYSA-N
SMILES:
Oc1c2c(cc(c1N=Nc1ccccc1S(=O)(=O)O)S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1S(=O)(=O)O)S(=O)(=O)O
NSC Number:
174066
Properties
Complexity:
1420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
687.955g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
688.624g/mol
Monoisotopic Mass:
687.955g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
341A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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