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
OOOOOO−OSO−OONa+Na+
Carboxylic acidEsterEtherSulfonic 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 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
24

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
40754-59-4
SMILES
CCCCCCCCCCCCOCCOCCOCCOC(=O)CC(C([O-])=O)S([O-])(=O)=O.[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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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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