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144790-67-0 | 1,3,6-Naphthalenetrisulfonic acid, 8,8'-[[1,1'-biphenyl]-4,4'-diylbis(sulfonylimino)]bis- (9CI)
CAS No: 144790-67-0 Catalog No: AG001K5M MDL No:
Product Description
Catalog Number:
AG001K5M
Chemical Name:
1,3,6-Naphthalenetrisulfonic acid, 8,8'-[[1,1'-biphenyl]-4,4'-diylbis(sulfonylimino)]bis- (9CI)
CAS Number:
144790-67-0
Molecular Formula:
C32H24N2O22S8
Molecular Weight:
1045.0532
IUPAC Name:
8-[[4-[4-[(3,6,8-trisulfonaphthalen-1-yl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid
InChI:
InChI=1S/C32H24N2O22S8/c35-57(36,33-27-13-23(59(39,40)41)9-19-11-25(61(45,46)47)15-29(31(19)27)63(51,52)53)21-5-1-17(2-6-21)18-3-7-22(8-4-18)58(37,38)34-28-14-24(60(42,43)44)10-20-12-26(62(48,49)50)16-30(32(20)28)64(54,55)56/h1-16,33-34H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)
InChI Key:
OOTNQRLFHDJNNE-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc(cc1)c1ccc(cc1)S(=O)(=O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
2450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1043.859g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
24
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
1045.016g/mol
Monoisotopic Mass:
1043.859g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
486A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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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