Sucrose octadecanoate

C30H58O13CAS 37318-31-3626.78 g/mol

Open in Covalent MOL file
OOHOHOOHOOOHOHOHHOHOHO
AcetalAlcoholCarboxylic acidEther

Properties

Molecular formula
C30H58O13
Molar mass
626.78 g/mol
Exact mass
626.3877 Da
Melting point
56–60 °C
logP
0.94Crippen estimate
Polar surface area
226.8 Ų
H-bond donors / acceptors
9 / 12
Rotatable bonds
21
Stereocentres
R, S, R, R, S, S, R, S, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 107 ECHA notifiers. Aggregated from 107 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
37318-31-3
SMILES
CCCCCCCCCCCCCCCCCC(=O)O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
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

70 names · show all
  • Sucrose, stearate
  • α-D-Glucopyranoside, β-D-fructofuranosyl, octadecanoate
  • Ryoto sugar ester S 370F
  • Ryoto sugar ester S 1170
  • Sucroester WE 11
  • Ryoto sugar ester S 170
  • S 1170
  • S 970
  • Ryoto sugar ester SM 1800
  • DK 50
  • DK 160
  • S 1570
  • Ryoto sugar ester S 1570
  • S 270
  • Ryoto sugar ester S 70
  • SM 90 (sugar ester)
  • Ryoto sugar ester S 1170F
  • Ryoto sugar ester S 570
  • S 070
  • Crodesta F 140
  • SS 7
  • SS 15
  • Surfhope sepharma J 1811F
  • S 170
  • Crodesta F 90
  • Sisterna SP 50
  • Ryoto sugar ester S 1170S
  • Ryoto sugar ester S 395
  • S 395
  • Sefose 1618H
  • SEFA polystearate
  • Surfhope SE cosme C 1816
  • Cosmelike S 10
  • DK Ester O 10
  • DUB-SE 11S
  • Cosmelike S 110
  • SE 1570
  • SE 970
  • Surfhope C 1816
  • Rikemal A
  • Surfhope J 1809
  • Surfhope J 1815
  • Ryoto sugar ester S 070
  • Surfhope SE COSME C 1802
  • Surfhope SE cosme C 1811
  • Surfhope SE COSME C 1800
  • Surfhope SE COSME C 1801
  • Surfhope J 1811
  • DKF 10
  • Ryoto S 1170
  • Surfhope SE cosme C 1815
  • SFE 1815
  • SP 10C
  • Ryoto S 170
  • Sucrose stearate
  • Saccharose stearate
  • Tego care SE 121
  • Sugar ester S 570
  • Emalex C 1611
  • S 370
  • Ryoto sugar ester S 1170J
  • Sugar ester S 170
  • Surfhope C 1815
  • Cane sugar stearate
  • Crodesta F 110
  • SM 90
  • Crodesta F 160
  • Nitto ester S 370
  • Ryoto sugar ester S 270
  • Ryoto sugar ester S 970

Work with Sucrose octadecanoate

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 monooctadecanoate25168-73-4

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

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