Isomaltitol

C₁₂H₂₄O₁₁CAS 534-73-6344.31 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₁₂H₂₄O₁₁
Molar mass: 344.31 g/mol
Exact mass: 344.1319 Da
Melting point: 165.5–167 °C
logP: -5.76Crippen estimate
Polar surface area: 200.5 Å²
H-bond donors / acceptors: 9 / 11
Rotatable bonds: 8
Stereocentres: S, R, R, R, S, R, S, S, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

534-73-6

SMILES

OC[C@H](O)[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

SERLAGPUMNYUCK-YJOKQAJESA-N

InChI

InChI=1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9+,10-,11+,12-/m0/s1

Weigh it out

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

Names and synonyms

5 names

D-Glucitol, 6-O-α-D-glucopyranosyl-
Glucitol, 6-O-α-D-glucopyranosyl-, D-
6-O-α-D-Glucopyranosyl-D-glucitol
6-O-α-D-Glucopyranosyl-D-sorbitol
1,6-GPS

Work with Isomaltitol

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.

Isomalt64519-82-0Stereoisomer

Similar compounds

Isomaltose499-40-170 % similar Gentiobiose554-91-670 % similar Melibiose585-99-970 % similar Manninotriose13382-86-067 % similar Xylobiose6860-47-565 % similar Xylopentaose49694-20-464 % similar Isomaltulose13718-94-063 % similar 1,5-Anhydroglucitol154-58-563 % similar

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

Same formula

Lactitol585-86-4 Maltitol585-88-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook