Record Information
Version1.0
Creation date2020-04-20 17:35:18 UTC
Update date2020-04-21 18:02:34 UTC
Primary IDFDB112188
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name2-O-a-L-Fucopyranosyl-galactose
Description2-O-a-L-Fucopyranosyl-galactose, also known as alpha-L-fucosyl-(1,2)-D-galactose or blood group H disaccharide, 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 2-O-a-L-Fucopyranosyl-galactose.
CAS NumberNot Available
Structure
Thumb
Synonyms
SynonymSource
2-O-(6-Deoxy-alpha-L-galactopyranosyl)-D-galactoseChEBI
alpha-L-Fucosyl-(1,2)-D-galactoseChEBI
2-O-(6-Deoxy-a-L-galactopyranosyl)-D-galactoseGenerator
2-O-(6-Deoxy-α-L-galactopyranosyl)-D-galactoseGenerator
a-L-Fucosyl-(1,2)-D-galactoseGenerator
Α-L-fucosyl-(1,2)-D-galactoseGenerator
2-O-alpha-L-Fucopyranosyl-D-galactoseHMDB
2-O-alpha-L-Fucopyranosyl-delta-galactoseHMDB
2-O-alpha-L-Fucopyranosyl-galactoseHMDB
6-Deoxy-alpha-L-galactosyl-(1->2)-D-galactoseHMDB
alpha-L-Fucosyl-(1->2)-D-galactoseHMDB
Blood group H disaccharideHMDB
a-L-Fucosyl-(1->2)-D-galactoseHMDB
Α-L-fucosyl-(1->2)-D-galactoseHMDB
Predicted Properties
PropertyValueSource
Water Solubility210 g/LALOGPS
logP-2.2ALOGPS
logP-4.3ChemAxon
logS-0.19ALOGPS
pKa (Strongest Acidic)12.07ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area177.14 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity68.22 m³·mol⁻¹ChemAxon
Polarizability30.41 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC12H22O10
IUPAC name(2R,3S,4S,5R)-3,4,5,6-tetrahydroxy-2-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexanal
InChI IdentifierInChI=1S/C12H22O10/c1-4-7(16)10(19)11(20)12(21-4)22-6(3-14)9(18)8(17)5(15)2-13/h3-13,15-20H,2H2,1H3/t4-,5+,6-,7+,8-,9+,10+,11-,12-/m0/s1
InChI KeyBQEBASLZIGFWEU-YYXBYDBJSA-N
Isomeric SMILESC[C@@H]1O[C@@H](O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Average Molecular Weight326.2971
Monoisotopic Molecular Weight326.121296924
Classification
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
  • Beta-hydroxy aldehyde
  • Oxane
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Acetal
  • Polyol
  • Alcohol
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organic oxygen compound
  • Aldehyde
  • Primary alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MS2-O-a-L-Fucopyranosyl-galactose, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0a4i-9242000000-995188e2177a51a37051Spectrum
Predicted GC-MS2-O-a-L-Fucopyranosyl-galactose, 5 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-00di-2201039000-db63549f2b7a0484dc8bSpectrum
Predicted GC-MS2-O-a-L-Fucopyranosyl-galactose, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-06ur-1914000000-5020f1f3a89c563a1a2cSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03ec-9700000000-46045c210f10557619d5Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-08fv-9400000000-2a4a3b76127b55e18798Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-090c-5931000000-b0fb5c0c69b8b20a1000Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03dr-9710000000-4902171b98da7419db02Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-9500000000-1eaa20eeea2265775531Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-0297000000-5f0f25eb8e43d4637d27Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-01ox-9300000000-ba0697e0520570569eb4Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-05c5-9300000000-f4cf1f153ad01a1613d7Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-056r-8339000000-606a991231e9ddbf8f77Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-9000000000-06584807fcc72399ebecSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4l-9000000000-239fb7a96627abb12873Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference