chempirical

Lactitol monohydrate

C12H26O12CAS 81025-04-9362.33 g/mol

Open in Covalent MOL file
H2OOHOHOOOHOHOHHOHOHOHO
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

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

Weigh it out

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

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

Similar compounds

Lactitol585-86-491 % similar Maltitol585-88-691 % similar 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

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook