chempirical

Sodium 3-allyloxy-2-hydroxy-1-propanesulfonate

C6H11NaO5SCAS 52556-42-0218.20 g/mol

Open in Covalent MOL file
OOHSO−OONa+
AlcoholAlkeneEtherSulfonic acid

Properties

Molecular formula
C6H11NaO5S
Molar mass
218.20 g/mol
Exact mass
218.0225 Da
logP
-0.94Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Identifiers

CAS number
52556-42-0
SMILES
C=CCOCC(O)CS([O-])(=O)=O.[Na+]
InChIKey
KKNSFTKNGNSIBW-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O5S.Na/c1-2-3-11-4-6(7)5-12(8,9)10;/h2,6-7H,1,3-5H2,(H,8,9,10);

Weigh it out

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

Names and synonyms

13 names · show all
  • 1-Propanesulfonic acid, 2-hydroxy-3-(2-propen-1-yloxy)-, sodium salt (1:1)
  • 1-Propanesulfonic acid, 2-hydroxy-3-(2-propenyloxy)-, monosodium salt
  • Sipomer COPS 1
  • COPS 1
  • COPS-I
  • Cops I
  • UCAN 1
  • AHPS
  • Sipomer COPS-I
  • 3-Allyloxy-2-hydroxy-1-propanesulfonic acid sodium salt
  • Hanerchem HAPS
  • SAHS
  • UCAN 8088

Work with Sodium 3-allyloxy-2-hydroxy-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

Sodium 1-chloro-2-hydroxypropane-3-sulfonate126-83-050 % similar 3-(Allyloxy)-1,2-propanediol123-34-249 % similar Sodium allylsulfonate2495-39-845 % similar 1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, sodium salt (1:1)102601-34-343 % similar 3-[N,N-Bis(hydroxyethyl)amino]-2-hydroxypropanesulphonic acid sodium salt102783-62-043 % similar 3-[N-Tris(hydroxymethyl)methylamino]-2-hydroxypropanesulfonic acid sodium salt105140-25-843 % similar Ampso sodium salt102029-60-740 % similar 1-(2-Hydroxy-3-sulfopropyl)pyridinium betaine3918-73-837 % similar

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

Elsewhere

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