chempirical

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

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

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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