Record Information
Version1.0
Creation date2015-12-17 22:37:39 UTC
Update date2017-01-17 09:17:11 UTC
FoodComEx IDPC001008
FoodDB RecordFDB031313
Chemical Information
Name4-hydroxybenzoic acid 4-O-sulphate
DescriptionPolyphenol metabolite
CAS NumberNot Available
Structure
Thumb
Synonyms
SynonymSource
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C7H6O6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,8,9)(H,10,11,12)
InChI KeyRJTYSXVYCZAUHE-UHFFFAOYSA-N
Isomeric SMILESOC(=O)C1=CC=C(OS(O)(=O)=O)C=C1
Average Molecular Weight218.184
Monoisotopic Molecular Weight217.988508614
Chemical Taxonomy
ClassificationNot classified
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 Methodchemical synthesis
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, in g
Delivery Time2 weeks
Storage Formpowder
Storage ConditionsNot Available
StabilityNot Available
Purity>95%
Spectra
Spectral Data Upon Request2D NMR, 1H NMR, 13C NMR
Provider Information
Contact NameContact InstitutionContact Email
Claudia SantosInstituto de Tecnologia Quimica e Biologica Antonio Xavier-Universidade Nova de Lisboa, Molecular Nutrition and Health Lab, Av. da República, Oeiras, PT, 2780-157 csantos@itqb.unl.pt
Rita VenturaUniversidade Nova de Lisboa, Instituto de Tecnologia Quimica e Biologica Antonio Xavier, Avenida da República, Estação Agronómica Nacional, Oeiras, PT, 2780-15rventura@itqb.unl.pt