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130798-66-2 | 1,5-Naphthalenedisulfonic acid, 3,3'-[[1,1'-biphenyl]-4,4'-diylbis(sulfonylimino)]bis- (9CI)
CAS No: 130798-66-2 Catalog No: AG000UY0 MDL No:
Product Description
Catalog Number:
AG000UY0
Chemical Name:
1,5-Naphthalenedisulfonic acid, 3,3'-[[1,1'-biphenyl]-4,4'-diylbis(sulfonylimino)]bis- (9CI)
CAS Number:
130798-66-2
Molecular Formula:
C32H24N2O16S6
Molecular Weight:
884.9268
IUPAC Name:
3-[[4-[4-[(4,8-disulfonaphthalen-2-yl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-1,5-disulfonic acid
InChI:
InChI=1S/C32H24N2O16S6/c35-51(36,33-21-15-27-25(31(17-21)55(45,46)47)3-1-5-29(27)53(39,40)41)23-11-7-19(8-12-23)20-9-13-24(14-10-20)52(37,38)34-22-16-28-26(32(18-22)56(48,49)50)4-2-6-30(28)54(42,43)44/h1-18,33-34H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)
InChI Key:
ZSRPRMIEOVRYCV-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc(cc1)c1ccc(cc1)S(=O)(=O)Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O)Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O
Properties
Complexity:
1930
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
883.945g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
884.902g/mol
Monoisotopic Mass:
883.945g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
360A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Selective inhibition of human cytomegalovirus replication by naphthalenedisulfonic acid derivatives. | Antiviral research 19930301 |
| Anti-HIV-1 and HIV-2 activity of naphthalenedisulfonic acid derivatives. Inhibition of cytopathogenesis, giant cell formation, and reverse transcriptase activity. | Biochemical pharmacology 19910215 |
| Potential anti-AIDS agents. Synthesis and antiviral activity of naphthalenesulfonic acid derivatives against HIV-1 and HIV-2. | Journal of medicinal chemistry 19910101 |
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