Record Information
Version1.0
Creation date2010-04-08 22:04:50 UTC
Update date2019-11-26 02:55:57 UTC
Primary IDFDB001126
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameL-Sorbose
DescriptionIndirect food additive arising from its use as a constituent of cotton, cotton fabrics, paper and paperboard in contact with dry food Sorbose is a ketose belonging to the group of sugars known as monosaccharides. The commercial production of vitamin C (ascorbic acid) often begins with sorbose.; Sorbose is a ketose belonging to the group of sugars known as monosaccharides. The commercial production of vitamin C (ascorbic acid) often begins with sorbose. L-Sorbose is the configuration of the naturally-occurring sugar. L-Sorbose is found in many foods, some of which are summer savory, sacred lotus, pepper (c. annuum), and pasta.
CAS Number87-79-6
Structure
Thumb
Synonyms
SynonymSource
a-L-SorbopyranoseGenerator
Alpha-l-sorbopyranosebiospider
Esorbenbiospider
Hex-2-uloseHMDB
L-(-)-sorbosebiospider
L-(-)-Sorbose 99%biospider
L-1,3,4,5,6-Pentahydroxyhexan-2-onebiospider
L-sorbinosebiospider
L-sorbopyranosebiospider
L-sorbosebiospider
L-xylo-2-Hexulosebiospider
L-xylo-hexulosebiospider
L(-) sorbose for biochemistrybiospider
L(-)-sorbosebiospider
Laevuflexbiospider
Sorbinbiospider
Sorbinosebiospider
Sorbosebiospider
Sorbose, l-biospider
Sorbose, l- (van)biospider
Xylo-hexulosebiospider
α-L-sorbopyranoseGenerator
Predicted Properties
PropertyValueSource
logP-2.8ChemAxon
pKa (Strongest Acidic)10.29ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area110.38 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity36.36 m³·mol⁻¹ChemAxon
Polarizability16.04 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC18H36O18
IUPAC name(3S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
InChI IdentifierInChI=1S/3C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6;7-1-3-4(9)5(10)6(11,2-8)12-3;7-1-3(9)5(11)6(12)4(10)2-8/h2*3-5,7-11H,1-2H2;3,5-9,11-12H,1-2H2
InChI KeyJCOXAIPZGMCTBN-UHFFFAOYSA-N
Isomeric SMILESOCC(O)C(O)C(O)C(=O)CO.OCC1OC(O)(CO)C(O)C1O.OCC1(O)OCC(O)C(O)C1O
Average Molecular Weight540.4676
Monoisotopic Molecular Weight540.190164348
Classification
Description belongs to the class of chemical entities known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganic oxygen compounds
Sub ClassOrganooxygen compounds
Direct ParentMonosaccharides
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionC 40.00%; H 6.71%; O 53.28%DFC
Melting PointMp 165°DFC
Boiling PointNot Available
Experimental Water Solubility360 mg/mL at 17 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical Rotation[a]20D -43.2 (H2O)DFC
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
SpectraNot Available
ChemSpider ID390208
ChEMBL IDNot Available
KEGG Compound IDC08356
Pubchem Compound ID441484
Pubchem Substance IDNot Available
ChEBI ID17266
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB01266
CRC / DFC (Dictionary of Food Compounds) IDBTN91-A:BTN92-B
EAFUS ID3492
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDSOE
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDL-Sorbose
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
Flavours
FlavorCitations
bitter
  1. Ayana Wiener, Marina Shudler, Anat Levit, Masha Y. Niv. BitterDB: a database of bitter compounds. Nucleic Acids Res 2012, 40(Database issue):D413-419. DOI:10.1093/nar/gkr755
Files
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References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference