1,5-Naphthalenedisulfonic acid, hydrate (1:4)

C₁₀H₁₆O₁₀S₂CAS 211366-30-2360.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆O₁₀S₂
Molar mass: 360.35 g/mol
Exact mass: 360.0185 Da
logP: -1.97Crippen estimate
Polar surface area: 234.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

211366-30-2

SMILES

O.O.O.O.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12

InChIKey

ZLBLYGIIADHDKG-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O6S2.4H2O/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;;;/h1-6H,(H,11,12,13)(H,14,15,16);4*1H2

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Names and synonyms

1 names

1,5-Naphthalenedisulfonic acid, tetrahydrate

Work with 1,5-Naphthalenedisulfonic acid, hydrate (1:4)

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

Armstrong'S acid81-04-987 % similar L Acid117-59-969 % similar Naphthalene-1-sulfonic acid85-47-268 % similar Laurent acid84-89-967 % similar 1,3,5-Naphthalenetrisulfonic acid6654-64-465 % similar 2-Naphthylamine-4,8-disulfonic acid131-27-161 % similar Dansyl acid4272-77-961 % similar 2-Amino-1,5-naphthalenedisulfonic acid117-62-459 % similar

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

Elsewhere

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