chempirical

Sucrose monooctadecanoate

C30H58O13CAS 25168-73-4626.78 g/mol

Open in Covalent MOL file
OOHOOOOHHOOHOHOHOHOHOH
AcetalAlcoholCarboxylic acidEther

Properties

Molecular formula
C30H58O13
Molar mass
626.78 g/mol
Exact mass
626.3877 Da
Melting point
67–71 °C
logP
0.94Crippen estimate
Polar surface area
226.8 Ų
H-bond donors / acceptors
9 / 12
Rotatable bonds
21
Stereocentres
R, S, S, R, R, S, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
25168-73-4
SMILES
CCCCCCCCCCCCCCCCCC(=O)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O
InChIKey
ONAIRGOTKJCYEY-XXDXYRHBSA-N
InChI
InChI=1S/C18H36O2.C12H22O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h2-17H2,1H3,(H,19,20);4-11,13-20H,1-3H2/t;4-,5-,6-,7-,8+,9-,10+,11-,12+/m.1/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • α-D-Glucopyranoside, β-D-fructofuranosyl, monooctadecanoate
  • Sucrose, monostearate
  • Stearic acid, monoester with sucrose
  • Saccharose monostearate
  • Saccharose stearate
  • Stearic acid sucrose ester
  • Sucrose monostearic acid ester
  • Sucrapan S
  • Ryoto sugar ester S 1670
  • Ryoto sugar ester MO-C 18
  • S 1670
  • NSC 192745
  • Sugar ester S 1670
  • Surfhope SE pharma J-1809
  • Ryoto S 1670
  • Sucrose stearate

Work with Sucrose monooctadecanoate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sucrose octadecanoate37318-31-3

Similar compounds

Sucrose laurate37266-93-6100 % similar Methyl glucose sesquistearate68936-95-866 % similar Sucrose57-50-164 % similar Raffinose512-69-660 % similar Sucrose benzoate12738-64-658 % similar Stachyose tetrahydrate10094-58-357 % similar D-Raffinose pentahydrate17629-30-057 % similar Kestose470-69-956 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook