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5-Nonadecylresorcinol

CAT: 0804-HY-113242-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-113242-01Size:5 mg
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Description
5-Nonadecylresorcinol is an alkylresorcinol and has inhibitory effects on the release of β-hexosaminidase in vitro[1].
CAS Number
35176-46-6
UNSPSC
12352005
Hazard Statement
H319
Target
Glycosidase
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/5-nonadecylresorcinol.html
Purity
96.36
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC1=CC(CCCCCCCCCCCCCCCCCCC)=CC(O)=C1
Molecular Formula
C25H44O2
Molecular Weight
376.62
Precautions
H319
References & Citations
[1]Seong Su Hong, et al. Inhibitors of antigen-induced degranulation of RBL-2H3 cells isolated from wheat bran. Journal of the Korean Society for Applied Biological Chemistry volume 55, pages69–74 (2012)
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

5-Nonadecylresorcinol

5-Nonadecyl-1,3-benzenediol is a member of resorcinols.

CAS Number35176-46-6
PubChem CID161858
IUPAC Name5-nonadecylbenzene-1,3-diol
Molecular FormulaC25H44O2
Molecular Weight376.6
XLogP11.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Heavy Atom Count27
Formal Charge0
Complexity295
SMILES
CCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h20-22,26-27H,2-19H2,1H3
InChIKey
PUNOCEUUYUXUGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Nonadecylresorcinol
CAS: 35176-46-6
CID: 161858
Formula: C25H44O2
MW: 376.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.6
XLogP311.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Exact Mass376.334130642
Monoisotopic Mass376.334130642
Topological Polar Surface Area40.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity295
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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