chempirical

Sodium ricinoleate

C18H33NaO3CAS 5323-95-5320.45 g/mol

Open in Covalent MOL file
OHO−ONa+
AlcoholAlkeneCarboxylic acid

Properties

Molecular formula
C18H33NaO3
Molar mass
320.45 g/mol
Exact mass
320.2327 Da
logP
4.70Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
15
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
5323-95-5
SMILES
CCCCCC[C@@H](O)CC=CCCCCCCCC([O-])=O.[Na+]
InChIKey
ZCEUYFQZJDGDEF-DPMBMXLASA-N
InChI
InChI=1S/C18H34O3.Na/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/b12-9-;/t17-;/m1./s1

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

Names and synonyms

8 names
  • 9-Octadecenoic acid, 12-hydroxy-, sodium salt (1:1), (9Z,12R)-
  • Ricinoleic acid, monosodium salt, (+)-
  • 9-Octadecenoic acid, 12-hydroxy-, monosodium salt, [R-(Z)]-
  • 9-Octadecenoic acid, 12-hydroxy-, monosodium salt, (9Z,12R)-
  • Sodium ricinate
  • Sodium ricinolate
  • Ricinoleic acid sodium salt
  • NSC 2835

Work with Sodium ricinoleate

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

Zinc ricinoleate13040-19-287 % similar Sodium oleate143-19-171 % similar Ricinoleic acid141-22-067 % similar Methyl ricinoleate141-24-264 % similar Lithium 12-hydroxystearate7620-77-163 % similar Butyl ricinoleate151-13-363 % similar Ethyl (9Z,12R)-12-hydroxy-9-octadecenoate55066-53-063 % similar Polyglycerol polyricinoleate29894-35-760 % similar

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

Elsewhere

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