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Lactulose (PC000456)

Record Information
Version1.0
Creation date2015-10-09 22:30:48 UTC
Update date2017-01-19 02:36:24 UTC
FoodComEx IDPC000456
FoodDB RecordFDB022215
Chemical Information
NameLactulose
DescriptionA synthetic disaccharide used in the treatment of constipation and hepatic encephalopathy. It has also been used in the diagnosis of gastrointestinal disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p887) [HMDB]
CAS Number4618-18-2
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5R)-4,5-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolHMDB
4-O-b-D-galactopyranosyl-D-Fructofuranosehmdb
4-O-b-D-Galactopyranosyl-D-fructosehmdb
4-O-beta-D-galactopyranosyl-D-Fructofuranosehmdb
4-O-beta-D-Galactopyranosyl-D-fructosehmdb
4-O-beta-delta-galactopyranosyl-delta-Fructofuranosehmdb
4-O-beta-delta-Galactopyranosyl-delta-fructosehmdb
4-O-β-D-galactopyranosyl-D-fructofuranoseGenerator
4-O-β-D-galactopyranosyl-D-fructoseGenerator
Bifiteralhmdb
Cephulachmdb
D-Lactulosehmdb
delta-Lactulosehmdb
LactulosaChEBI
Lactulosehmdb
LactulosumChEBI
Chemical FormulaC12H22O11
IUPAC name(2S,3R,4S,5R,6R)-2-{[(2R,3S,4S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI IdentifierInChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12?/m1/s1
InChI KeyJCQLYHFGKNRPGE-DNMRROERSA-N
Isomeric SMILES[H][C@]1(CO)OC(O)(CO)[C@@]([H])(O)[C@]1([H])O[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O
Average Molecular Weight342.2965
Monoisotopic Molecular Weight342.116211546
Chemical Taxonomy
Description Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentO-glycosyl compounds
Alternative Parents
Substituents
  • O-glycosyl compound
  • Disaccharide
  • C-glycosyl compound
  • Oxane
  • Tetrahydrofuran
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Acetal
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 2 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci 2506AH
AKSci J93965
Cayman Chemical 23795
Glentham GC1952
MetaSci HMDB0000740
Sigma-Aldrich HMDB0000740
Toronto Research Chemicals L165500