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25188-23-2 | 2-Naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis[4-hydroxy-3-(2-phenyldiazenyl)-
CAS No: 25188-23-2 Catalog No: AG002QSV MDL No:
Product Description
Catalog Number:
AG002QSV
Chemical Name:
2-Naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis[4-hydroxy-3-(2-phenyldiazenyl)-
CAS Number:
25188-23-2
Molecular Formula:
C33H24N6O9S2
Molecular Weight:
712.7085
IUPAC Name:
4-hydroxy-7-[(5-hydroxy-6-phenyldiazenyl-7-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid
InChI:
InChI=1S/C33H24N6O9S2/c40-31-25-13-11-23(15-19(25)17-27(49(43,44)45)29(31)38-36-21-7-3-1-4-8-21)34-33(42)35-24-12-14-26-20(16-24)18-28(50(46,47)48)30(32(26)41)39-37-22-9-5-2-6-10-22/h1-18,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48)
InChI Key:
XKNUVBQTZXGYHL-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O)Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O
EC Number:
246-725-8
Properties
Complexity:
1340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
712.105g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
712.708g/mol
Monoisotopic Mass:
712.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
257A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
Literature
| Title | Journal |
|---|---|
| A novel mechanism for inhibition of HIV-1 reverse transcriptase. | Bioorganic chemistry 20021201 |
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