Record Information
Version1.0
Creation Date2020-05-05 15:49:04 UTC
Update Date2020-05-05 18:38:55 UTC
BMDB IDBMDB0109647
Secondary Accession NumbersNone
Metabolite Identification
Common NameMaltitol
DescriptionMaltitol belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Based on a literature review a significant number of articles have been published on Maltitol.
Structure
Thumb
Synonyms
ValueSource
(2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}hexane-1,2,3,5,6-pentolChEBI
4-O-alpha-D-Glucopyranosyl-D-glucitolChEBI
alpha-D-GLC-(1->4)-D-GLC-olChEBI
alpha-D-GLCP-(1->4)-D-GLC-olChEBI
alpha-D-Glucosyl-(1->4)-D-glucitolChEBI
D-MaltitolChEBI
WURCS=2.0/2,2,1/[H2122H][a2122h-1a_1-5]/1-2/a4-b1ChEBI
4-O-a-D-Glucopyranosyl-D-glucitolGenerator
4-O-Α-D-glucopyranosyl-D-glucitolGenerator
a-D-GLC-(1->4)-D-GLC-olGenerator
Α-D-GLC-(1->4)-D-GLC-olGenerator
a-D-GLCP-(1->4)-D-GLC-olGenerator
Α-D-GLCP-(1->4)-D-GLC-olGenerator
a-D-Glucosyl-(1->4)-D-glucitolGenerator
Α-D-glucosyl-(1->4)-D-glucitolGenerator
4-O-alpha-delta-Glucopyranosyl-delta-glucitolHMDB
Amalti syrupHMDB
Amalty MR 100HMDB
D-4-O-alpha-D-GlucopyranosylglucitolHMDB
delta-4-O-alpha-delta-GlucopyranosylglucitolHMDB
delta-MaltitolHMDB
MalbitHMDB
Malti MRHMDB
MaltisorbHMDB
MaltitHMDB
MaltitolHMDB
Chemical FormulaC12H24O11
Average Molecular Weight344.3124
Monoisotopic Molecular Weight344.13186161
IUPAC Name(2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,5,6-pentol
Traditional Namemaltitol
CAS Registry NumberNot Available
SMILES
OC[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
InChI Identifier
InChI=1S/C12H24O11/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/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1
InChI KeyVQHSOMBJVWLPSR-WUJBLJFYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acyl glycosides
Direct ParentFatty acyl glycosides of mono- and disaccharides
Alternative Parents
Substituents
  • Fatty acyl glycoside of mono- or disaccharide
  • Alkyl glycoside
  • Disaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Fatty alcohol
  • Sugar alcohol
  • Oxane
  • Secondary alcohol
  • Acetal
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Organooxygen compound
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
StatusDetected but not Quantified
OriginNot Available
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-3.2ALOGPS
logP-5.5ChemAxon
logS0.04ALOGPS
pKa (Strongest Acidic)12.1ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area200.53 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity70.82 m³·mol⁻¹ChemAxon
Polarizability31.84 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Abnormal Concentrations
Not Available
HMDB IDHMDB0002928
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB020369
KNApSAcK IDNot Available
Chemspider ID432001
KEGG Compound IDNot Available
BioCyc IDCPD-3609
BiGG IDNot Available
Wikipedia LinkMaltitol
METLIN ID3484
PubChem Compound493591
PDB IDNot Available
ChEBI ID68428
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available