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140909-58-6 | 2,7-Naphthalenedisulfonic acid, 4,5-bis(acetyloxy)-3-(2-phenyldiazenyl)-
CAS No: 140909-58-6 Catalog No: AG001D04 MDL No:
Product Description
Catalog Number:
AG001D04
Chemical Name:
2,7-Naphthalenedisulfonic acid, 4,5-bis(acetyloxy)-3-(2-phenyldiazenyl)-
CAS Number:
140909-58-6
Molecular Formula:
C20H16N2O10S2
Molecular Weight:
508.4784
IUPAC Name:
4,5-diacetyloxy-3-phenyldiazenylnaphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C20H16N2O10S2/c1-11(23)31-16-10-15(33(25,26)27)8-13-9-17(34(28,29)30)19(20(18(13)16)32-12(2)24)22-21-14-6-4-3-5-7-14/h3-10H,1-2H3,(H,25,26,27)(H,28,29,30)
InChI Key:
CCCHQXUFDLOMEW-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c2c(OC(=O)C)cc(cc2cc(c1N=Nc1ccccc1)S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
995
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.025g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
508.472g/mol
Monoisotopic Mass:
508.025g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Potential anti-AIDS naphthalenesulfonic acid derivatives. Synthesis and inhibition of HIV-1 induced cytopathogenesis and HIV-1 and HIV-2 reverse transcriptase activities. | Journal of medicinal chemistry 19921225 |
| Novel naphthalenedisulfonic acid anti-HIV-1 agents. Synthesis and activity against reverse transcriptase, virus replication and syncytia formation. | Drug design and discovery 19911101 |
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