Sucrose benzoate

C19H28O13CAS 12738-64-6464.42 g/mol

Open in Covalent MOL file
OHOOHOOHOOOHOHOHHOHOHO
AcetalAlcoholCarboxylic acidEther

Properties

Molecular formula
C19H28O13
Molar mass
464.42 g/mol
Exact mass
464.1530 Da
Melting point
98 °C
logP
-4.01Crippen estimate
Polar surface area
226.8 Ų
H-bond donors / acceptors
9 / 12
Rotatable bonds
6
Stereocentres
R, S, R, R, S, S, R, S, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
12738-64-6
SMILES
O=C(O)c1ccccc1.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
GYUJITDJMFVEPZ-AKSHDPDZSA-N
InChI
InChI=1S/C12H22O11.C7H6O2/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12;8-7(9)6-4-2-1-3-5-6/h4-11,13-20H,1-3H2;1-5H,(H,8,9)/t4-,5-,6-,7-,8+,9-,10+,11-,12+;/m1./s1

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Names and synonyms

5 names
  • α-D-Glucopyranoside, β-D-fructofuranosyl, benzoate
  • Benzoylsaccharose
  • Saccharose benzoate
  • Uniplex 280
  • Uniplex 280CG

Work with Sucrose benzoate

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

Sucrose57-50-168 % similar Raffinose512-69-661 % similar Kestose470-69-959 % similar Sucrose monooctadecanoate25168-73-458 % similar Sucrose laurate37266-93-658 % similar Sucrose octadecanoate37318-31-358 % similar Nystose13133-07-858 % similar 1F-Fructofuranosylnystose59432-60-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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