Sodium 2-hydroxy-3-(2-propynyloxy)-1-propanesulfonate

C₆H₉NaO₄SCAS 30290-53-0200.18 g/mol

Open in Covalent MOL file

Alkyne Ether Sulfonic acid

Properties

Molecular formula: C₆H₉NaO₄S
Molar mass: 200.18 g/mol
Exact mass: 200.0119 Da
logP: -0.47Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Identifiers

CAS number

30290-53-0

SMILES

C#CCOCCCS([O-])(=O)=O.[Na+]

InChIKey

PDEFUJXZIDODKM-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O4S.Na/c1-2-4-10-5-3-6-11(7,8)9;/h1H,3-6H2,(H,7,8,9);

Weigh it out

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

Names and synonyms

3 names

1-Propanesulfonic acid, 3-(2-propyn-1-yloxy)-, sodium salt (1:1)
1-Propanesulfonic acid, 3-(2-propynyloxy)-, sodium salt
Sodium 3-propargyloxypropylsulfonate

Work with Sodium 2-hydroxy-3-(2-propynyloxy)-1-propanesulfonate

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 butane-1,4-disulfonate36589-61-452 % similar Sodium 2-propyne-1-sulfonate55947-46-150 % similar 3-(N-Morpholino)propanesulfonic acid sodium salt71119-22-749 % similar Disodium 1,2-ethanedisulfonate5325-43-945 % similar Sodium 3-mercapto-1-propanesulfonate17636-10-144 % similar Sodium 1-butanesulfonate2386-54-144 % similar Bis(sodium sulfopropyl) disulfide27206-35-544 % similar Sodium 2-(N-morpholino)ethanesulfonate71119-23-844 % similar

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

Elsewhere

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