Sodium 5-hydroxy-1-naphthalenesulfonate

C₁₀H₇NaO₄SCAS 5419-77-2246.21 g/mol

Open in Covalent MOL file

Phenol Sulfonic acid

Properties

Molecular formula: C₁₀H₇NaO₄S
Molar mass: 246.21 g/mol
Exact mass: 245.9963 Da
logP: 1.41Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

5419-77-2

SMILES

[O-]S(=O)(=O)c1cccc2c(O)cccc12.[Na+]

InChIKey

WRJOKHJBVSLGFW-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O4S.Na/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14;/h1-6,11H,(H,12,13,14);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

1-Naphthalenesulfonic acid, 5-hydroxy-, sodium salt (1:1)
1-Naphthalenesulfonic acid, 5-hydroxy-, monosodium salt
1-Naphthol-5-sodium sulfonate
1-Naphthol-5-sulfonic acid sodium salt
Sodium 1-naphthol-5-sulfonate
Sodium 5-hydroxynaphthalenesulfonate

Work with Sodium 5-hydroxy-1-naphthalenesulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Disodium 1,5-naphthalenedisulfonate1655-29-476 % similar Sodium O-phenolsulfonate1300-51-269 % similar Sodium 1-naphthalenesulfonate130-14-362 % similar L Acid117-59-957 % similar Sodium naphthionate130-13-253 % similar 2-Amino-1,5-naphthalenedisulfonic acid sodium salt19532-03-752 % similar Pyranine6358-69-651 % similar 8-Amino-1-naphthol-5,7-disulfonic acid monosodium salt52789-62-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Sodium 7-hydroxy-2-naphthalenesulfonate135-55-7 Sodium 6-hydroxy-2-naphthalenesulfonate135-76-2 Sodium 1-naphthol-4-sulfonate6099-57-6

Elsewhere

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