Identification

PhytoHub ID
PHUB001749
Name
5-(3'-Hydroxyphenyl)-gamma-hydroxyvaleric acid
Synonyms
Not Available
CAS Number
Not Available
Average Mass
210.229
Monoisotopic Mass
210.089208931
Chemical Formula
C11H14O4
IUPAC Name
4-hydroxy-5-(3-hydroxyphenyl)pentanoic acid
InChI Key
CBCIWEQMPVKOHC-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C11H14O4/c12-9-3-1-2-8(6-9)7-10(13)4-5-11(14)15/h1-3,6,10,12-13H,4-5,7H2,(H,14,15)
SMILES
OC(CCC(O)=O)CC1=CC=CC(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.84e+00 g/l
LogS (ALOGPS)
-2.06
LogP (ALOGPS)
0.99
Hydrogen Acceptors
4
Hydrogen Donors
3
Rotatable Bond Count
5
Polar Surface Area
77.76
Refractivity
54.819
Polarizability
21.769146855869913
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.748168905598985
pKa (strongest acidic)
4.290378009827262
FreewebChemaxon powered

Precursor Taxonomy

PrecursorFamilyClassSub-class
(-)-EpicatechinPolyphenolsFlavonoidsFlavanolsShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
(-)-Epicatechin 5-(3'-Hydroxyphenyl)-gamma-hydroxyvaleric acidraturineC11H14O4210.089208931 Publications
Back