chempirical

Kestose

C18H32O16CAS 470-69-9504.44 g/mol

Open in Covalent MOL file
HOOOHOOOOHOHOHHOOOHOHOHOHOH
AcetalAlcoholEther

Properties

Molecular formula
C18H32O16
Molar mass
504.44 g/mol
Exact mass
504.1690 Da
Melting point
198–200 °C
logP
-7.57Crippen estimate
Polar surface area
268.7 Ų
H-bond donors / acceptors
11 / 16
Rotatable bonds
9
Stereocentres
R, R, S, R, R, S, S, R, R, S, S, S, Sin 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
470-69-9
SMILES
OC[C@H]1O[C@@](CO)(OC[C@@]2(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIKey
VAWYEUIPHLMNNF-OESPXIITSA-N
InChI
InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(15(29)11(25)8(3-21)33-18)5-30-17(4-22)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • α-D-Glucopyranoside, O-β-D-fructofuranosyl-(2→1)-β-D-fructofuranosyl
  • Glucopyranoside, O-β-D-fructofuranosyl-(2→1)-β-D-fructofuranosyl, α-D-
  • α-D-Glucopyranoside, O-β-D-fructofuranosyl-(2→1)-O-β-D-fructofuranosyl-(2→1)
  • O-β-D-Fructofuranosyl-(2→1)-β-D-fructofuranosyl α-D-glucopyranoside
  • 1-Kestose
  • 1F-Fructosylsucrose
  • 1-Kestotriose
  • 1-Fructosylsucrose
  • GF 2

Work with Kestose

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

Nystose13133-07-898 % similar 1F-Fructofuranosylnystose59432-60-998 % similar Fructoheptasaccharide62512-20-398 % similar Sucrose57-50-183 % similar Stachyose tetrahydrate10094-58-367 % similar D-Raffinose pentahydrate17629-30-067 % similar Epichlorohydrin-sucrose copolymer26873-85-865 % similar Sucrose benzoate12738-64-659 % similar

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

Same formula

Maltotriose1109-28-0 Manninotriose13382-86-0 Raffinose512-69-6 Melezitose597-12-6 Dextrin9004-53-9 Laminarin9008-22-4 Cellulase9012-54-8 β-D-Glucan9041-22-9

Elsewhere

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