Lactitol monohydrate

C12H26O12CAS 81025-04-9362.33 g/mol

Open in Covalent MOL file
H2OHOHOOOOHOHOHHOOHHOHO
AcetalAlcoholEther

Properties

Molecular formula
C12H26O12
Molar mass
362.33 g/mol
Exact mass
362.1424 Da
Melting point
94–97 °C
logP
-6.59Crippen estimate
Polar surface area
232.0 Ų
H-bond donors / acceptors
9 / 11
Rotatable bonds
8
Stereocentres
R, R, S, R, R, S, R, R, 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
81025-04-9
SMILES
O.OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO
InChIKey
LXMBXZRLTPSWCR-XBLONOLSSA-N
InChI
InChI=1S/C12H24O11.H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;/h4-21H,1-3H2;1H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-;/m0./s1

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Names and synonyms

4 names
  • D-Glucitol, 4-O-β-D-galactopyranosyl-, hydrate (1:1)
  • D-Glucitol, 4-O-β-D-galactopyranosyl-, monohydrate
  • Exportal
  • 4-O-β-D-Galactopyranosyl-D-glucitol monohydrate

Work with Lactitol monohydrate

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.

Maltitol585-88-6Anhydrous, diastereomer Lactitol585-86-4Anhydrous

Similar compounds

Maltose monohydrate6363-53-771 % similar D-(+)-Lactose monohydrate64044-51-571 % similar α-D-Glucopyranosyl α-D-glucopyranoside dihydrate6138-23-470 % similar Cellobiose528-50-764 % similar Lactose63-42-364 % similar Maltose69-79-464 % similar Beta-cyclodextrin hydrate68168-23-063 % similar Lactobionic acid96-82-263 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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