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144790-77-2 | 1,3,6-Naphthalenetrisulfonic acid, 8-[[(4'-sulfo[1,1'-biphenyl]-4-yl)sulfonyl]amino]-
CAS No: 144790-77-2 Catalog No: AG001K5L MDL No:
Product Description
Catalog Number:
AG001K5L
Chemical Name:
1,3,6-Naphthalenetrisulfonic acid, 8-[[(4'-sulfo[1,1'-biphenyl]-4-yl)sulfonyl]amino]-
CAS Number:
144790-77-2
Molecular Formula:
C22H17NO14S5
Molecular Weight:
679.6937
IUPAC Name:
8-[[4-(4-sulfophenyl)phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid
InChI:
InChI=1S/C22H17NO14S5/c24-38(25,16-5-1-13(2-6-16)14-3-7-17(8-4-14)39(26,27)28)23-20-11-18(40(29,30)31)9-15-10-19(41(32,33)34)12-21(22(15)20)42(35,36)37/h1-12,23H,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)
InChI Key:
AWVMSVMBQAYZPL-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc(cc1)c1ccc(cc1)S(=O)(=O)O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
1510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
678.925g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
679.671g/mol
Monoisotopic Mass:
678.925g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
306A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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 |
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