chempirical

Sodium stearyl fumarate

C22H39NaO4CAS 4070-80-8390.54 g/mol

Open in Covalent MOL file
OOO−ONa+
AlkeneCarboxylic acidEster

Properties

Molecular formula
C22H39NaO4
Molar mass
390.54 g/mol
Exact mass
390.2746 Da
logP
6.05Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
19
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
4070-80-8
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C([O-])=O.[Na+]
InChIKey
SVJQDBWWPZATEC-LTRPLHCISA-N
InChI
InChI=1S/C22H40O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;/h18-19H,2-17,20H2,1H3,(H,23,24);/b19-18+;

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

Names and synonyms

10 names
  • 2-Butenedioic acid (2E)-, monooctadecyl ester, sodium salt (1:1)
  • Fumaric acid, octadecyl ester, sodium salt
  • Fumaric acid, monooctadecyl ester, sodium salt
  • 2-Butenedioic acid (E)-, monooctadecyl ester, sodium salt
  • 2-Butenedioic acid (2E)-, monooctadecyl ester, sodium salt
  • Sodium monostearyl fumarate
  • Pruv
  • Sodium octadecyl fumarate
  • Lubripharm SSF
  • Alubra PG 100

Work with Sodium stearyl fumarate

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

Di-N-octyl maleate2915-53-971 % similar Dibutyl fumarate105-75-960 % similar Dibutyl maleate105-76-060 % similar Monooctyl maleate2370-71-059 % similar Hexadecyl acrylate13402-02-353 % similar Decyl acrylate2156-96-953 % similar Lauryl acrylate2156-97-053 % similar Octyl acrylate2499-59-453 % similar

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

Elsewhere

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