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5-Hydroxyvanillin

CAT: 0804-HY-W051164-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W051164-02Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5-Hydroxyvanillin is the product of the bacterial and fungal breakdown of ferulic acid, an abundant component in cell walls of found in many seed and leaves[1].
CAS Number
3934-87-0
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/5-hydroxyvanillin.html
Purity
98.59
Solubility
DMSO : ≥ 150 mg/mL
Smiles
O=CC1=CC(OC)=C(C(O)=C1)O
Molecular Formula
C8H8O4
Molecular Weight
168.15
Precautions
H315, H319, H335
References & Citations
[1]Farouk S. El-Feraly, et al. Isolation, Characterization and Synthesis of 3-Methoxy-4,5-methylenedioxycinnamaldehyde: A Novel Constituent From Canella winterana. J. Nat. Prod. 1980, 43, 3, 407–410.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3,4-Dihydroxy-5-methoxybenzaldehyde

5-Hydroxyvanillin has been reported in Pluchea indica with data available.

CAS Number3934-87-0
PubChem CID77535
IUPAC Name3,4-dihydroxy-5-methoxybenzaldehyde
Molecular FormulaC8H8O4
Molecular Weight168.15
XLogP-0.3
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity159
SMILES
COC1=CC(=CC(=C1O)O)C=O
InChI
InChI=1S/C8H8O4/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-4,10-11H,1H3
InChIKey
RRKMWVISRMWBAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dihydroxy-5-methoxybenzaldehyde
CAS: 3934-87-0
CID: 77535
Formula: C8H8O4
MW: 168.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.15
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass168.04225873
Monoisotopic Mass168.04225873
Topological Polar Surface Area66.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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