Butanedioic acid, 2-sulfo-, 4-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl] ester, sodium salt (1:2)

C₂₂H₄₀Na₂O₁₀SCAS 40754-59-4542.59 g/mol

Open in Covalent MOL file

Carboxylic acid Ester Ether Sulfonic acid

Properties

Molecular formula: C₂₂H₄₀Na₂O₁₀S
Molar mass: 542.59 g/mol
Exact mass: 542.2138 Da
logP: 2.47Crippen estimate
Polar surface area: 145.7 Å²
H-bond donors / acceptors: 2 / 8
Rotatable bonds: 24

Identifiers

CAS number

40754-59-4

SMILES

CCCCCCCCCCCCOCCOCCOCCOC(=O)CC(C([O-])=O)S([O-])(=O)=O.[Na+].[Na+]

InChIKey

DFRYUIVJEQWIFM-UHFFFAOYSA-N

InChI

InChI=1S/C22H42O10S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-29-13-14-30-15-16-31-17-18-32-21(23)19-20(22(24)25)33(26,27)28;;/h20H,2-19H2,1H3,(H,24,25)(H,26,27,28);;

Weigh it out

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

Names and synonyms

2 names

Butanedioic acid, sulfo-, 4-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl] ester, disodium salt
MES 403

Work with Butanedioic acid, 2-sulfo-, 4-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl] ester, sodium salt (1:2)

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

Sodium di-n-octyl sulfosuccinate1639-66-367 % similar Sodium bis(2-ethylhexyl) sulfosuccinate577-11-750 % similar Sodium lauryl sulfoacetate1847-58-148 % similar Isobutyl sulfosuccinic acid monosodium salt diester127-39-946 % similar 1,1′-(Oxydi-2,1-ethanediyl) dioctadecanoate109-30-844 % similar Sodium lauroylisethionate7381-01-344 % similar Sodium stearoyllactate18200-72-142 % similar Bis(2-butoxyethyl) adipate141-18-441 % similar

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

Elsewhere

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