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Showing Compound 5-O-a-L-Arabinofuranosyl-L-arabinose (FDB018326)

Record Information
Version1.0
Creation date2010-04-08 22:13:38 UTC
Update date2019-11-26 03:16:01 UTC
Primary IDFDB018326
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name5-O-a-L-Arabinofuranosyl-L-arabinose
Description5-O-a-L-Arabinofuranosyl-L-arabinose, also known as arabinobiose, 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. 5-O-a-L-Arabinofuranosyl-L-arabinose has been detected, but not quantified in, fruits and root vegetables. This could make 5-O-a-L-arabinofuranosyl-L-arabinose a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 5-O-a-L-Arabinofuranosyl-L-arabinose.
CAS NumberNot Available
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
ArabinobioseHMDB
Predicted Properties
PropertyValueSource
Water Solubility564 g/LALOGPS
logP-2.8ALOGPS
logP-3.4ChemAxon
logS0.3ALOGPS
pKa (Strongest Acidic)11.26ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area149.07 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity56.41 m³·mol⁻¹ChemAxon
Polarizability26.19 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC10H18O9
IUPAC name(2R,3R,4R,5S)-5-({[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxolane-2,3,4-triol
InChI IdentifierInChI=1S/C10H18O9/c11-1-3-5(12)8(15)10(19-3)17-2-4-6(13)7(14)9(16)18-4/h3-16H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+/m0/s1
InChI KeyHANDMAIZTZRPTQ-GJAWKPGMSA-N
Isomeric SMILESOC[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Average Molecular Weight282.2445
Monoisotopic Molecular Weight282.095082174
Classification
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
  • Tetrahydrofuran
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Acetal
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Route of exposure:

Source:

Role

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 42.55%; H 6.43%; O 51.02%DFC
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical Rotation[a]D -98.4 (H2O)DFC
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MS5-O-a-L-Arabinofuranosyl-L-arabinose, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0229-7390000000-8d23580f0bba7820ff6bSpectrum
Predicted GC-MS5-O-a-L-Arabinofuranosyl-L-arabinose, 5 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-004i-3412149000-16728ef48f4ef09d6b11Spectrum
Predicted GC-MS5-O-a-L-Arabinofuranosyl-L-arabinose, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MS5-O-a-L-Arabinofuranosyl-L-arabinose, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00lr-1290000000-4bec79f959b2070aa19eSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00lr-1960000000-65ed6267ed91d4c66f3fSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00lv-9610000000-3eedf05f3c75fe70240fSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-2590000000-af60d6adf6f4269d7f7aSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-0920000000-cd0495455804f69be2e6Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0k9y-8900000000-84824dac989f83e4bd7fSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-01q9-0960000000-7bcbdc535bcf69dfd712Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a5c-9800000000-7d42943895ad2dcb7fe8Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9100000000-5a22aed411221a9a2834Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-0490000000-b3350f85b96ed3cad467Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00lr-3920000000-c6fd42fe88fc81dd3f02Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-066u-9600000000-fcc1855f5e7085008d77Spectrum
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 IDHMDB38880
CRC / DFC (Dictionary of Food Compounds) IDLJP71-S:LJP71-S
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