chempirical

Emulsiphos

C16H34KO4PCAS 19035-79-1360.52 g/mol

Open in Covalent MOL file
OPO−OOHK+
Phosphate

Properties

Molecular formula
C16H34KO4P
Molar mass
360.52 g/mol
Exact mass
360.1832 Da
logP
5.20Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
16

Identifiers

CAS number
19035-79-1
SMILES
CCCCCCCCCCCCCCCCOP([O-])(=O)O.[K+]
InChIKey
SMITZRKODWNNBA-UHFFFAOYSA-N
InChI
InChI=1S/C16H35O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H2,17,18,19);

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Names and synonyms

3 names
  • 1-Hexadecanol, 1-(dihydrogen phosphate), potassium salt (1:1)
  • 1-Hexadecanol, dihydrogen phosphate, monopotassium salt
  • Potassium cetyl phosphate

Work with Emulsiphos

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

Dicetyl phosphate2197-63-954 % similar Monolauryl phosphate2627-35-254 % similar Miltefosine58066-85-645 % similar Dibutyl phosphate107-66-444 % similar Phosphocholine107-73-344 % similar Calcium phosphorylcholine4826-71-542 % similar Dihexyl ether112-58-341 % similar Octyl ether629-82-341 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook