CAS 117-55-5 | 1,5-Naphthalenedisulfonic acid, 4-amino- | CAS Number 117-55-5

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117-55-5 | 1,5-Naphthalenedisulfonic acid, 4-amino-

CAS No: 117-55-5 Catalog No: AG000DIL MDL No:

Product Description

Catalog Number:

AG000DIL

Chemical Name:

1,5-Naphthalenedisulfonic acid, 4-amino-

CAS Number:

117-55-5

Molecular Formula:

C10H9NO6S2

Molecular Weight:

303.3116

IUPAC Name:

4-aminonaphthalene-1,5-disulfonic acid

InChI:

InChI=1S/C10H9NO6S2/c11-7-4-5-8(18(12,13)14)6-2-1-3-9(10(6)7)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)

InChI Key:

PHZVGKMVVKFBCX-UHFFFAOYSA-N

SMILES:

Nc1ccc(c2c1c(ccc2)S(=O)(=O)O)S(=O)(=O)O

EC Number:

204-196-0

NSC Number:

5526

Properties

Complexity:

531

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

302.987g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

303.303g/mol

Monoisotopic Mass:

302.987g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

152A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis of naphthalenesulfonic acid small molecules as selective inhibitors of the DNA polymerase and ribonuclease H activities of HIV-1 reverse transcriptase.	Journal of medicinal chemistry 19940805
Structure-activity relationship studies with symmetric naphthalenesulfonic acid derivatives. Synthesis and influence of spacer and naphthalenesulfonic acid moiety on anti-HIV-1 activity.	Journal of medicinal chemistry 19930709