Isomaltulose

C₁₂H₂₂O₁₁CAS 13718-94-0342.30 g/mol

Properties

Molecular formula: C₁₂H₂₂O₁₁
Molar mass: 342.30 g/mol
Exact mass: 342.1162 Da
logP: -5.55Crippen estimate
Polar surface area: 197.4 Å²
H-bond donors / acceptors: 8 / 11
Rotatable bonds: 8
Stereocentres: S, R, R, S, R, S, S, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 23 ECHA notifiers. Aggregated from 23 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

13718-94-0

SMILES

O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChIKey

RJPPRBMGVWEZRR-WTZPKTTFSA-N

InChI

InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h5-14,16-21H,1-3H2/t5-,6-,7-,8-,9-,10+,11-,12+/m1/s1

Weigh it out

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

Names and synonyms

11 names

D-Fructose, 6-O-α-D-glucopyranosyl-
Fructose, 6-O-α-D-glucopyranosyl-, D-
Palatinose
6-O-α-D-Glucopyranosyl-D-fructose
Galen IQ
Palatinose IC
Palatinose ICP
Palatinose SD
Palatinose PST-N
MS-C 4
Palatinose PST-NP

Work with Isomaltulose

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

Isomaltitol534-73-663 % similar Isomalt64519-82-063 % similar D-Sorbose3615-56-357 % similar Psicose551-68-857 % similar Fructose57-48-757 % similar L-Fructose7776-48-957 % similar Sorbose87-79-657 % similar D-Tagatose87-81-057 % similar

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

Same formula

α-D-Lactose14641-93-1 Lactulose4618-18-2 Isomaltose499-40-1 Cellobiose528-50-7 Turanose547-25-1 Gentiobiose554-91-6 Sucrose57-50-1 6-O-α-D-Glucopyranosyl-α-D-fructofuranose58166-27-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia