Identification

PhytoHub ID
PHUB000552
Name
5-Heneicosylresorcinol
Systematic Name
Synonyms
Not Available
CAS Number
Not Available
Average Mass
404.6688
Monoisotopic Mass
404.36543078
Chemical Formula
C27H48O2
IUPAC Name
5-henicosylbenzene-1,3-diol
InChI Key
BLHLKJLSYHEOGY-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C27H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h22-24,28-29H,2-21H2,1H3
SMILES
CCCCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
5.06e-05 g/l
LogS (ALOGPS)
-6.90
LogP (ALOGPS)
9.78
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
20
Polar Surface Area
40.46
Refractivity
127.08099999999999
Polarizability
55.15601168911583
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.6650579160485925
pKa (strongest acidic)
9.359032641624808

Taxonomy

Family
Polyphenols
Class
Phenolic acids
Sub-class
Miscellaneous phenolic acids

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

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